Method of inhibiting cathepsin K

ABSTRACT

A novel cathepsin K crystalline stucture is identified. Also disclosed are methods of identifying inhibitors of this protease and methods of inhibiting cathepsin K using inhibitors with certain structural, physical and spatial characteristics.

This application is a 371 of International Application PCT/US96/17512, filed Oct. 30, 1996, which claims benefit from the following U.S. Provisional Applications: 60/008,108, filed Oct. 30, 1995; 60/007,473, filed Nov. 22, 1995; 60/008,992, filed Dec. 21, 1995; 60/013,748, filed Mar. 20, 1996; 60/013,764, filed Mar. 20, 1996; 60/013,747, filed Mar. 20, 1996; 60/017,455, filed May 17, 1996; 60/017,892, filed May 17, 1996; 60/020,478, filed Jun. 13, 1996; 60/022,047, filed Jul. 22,1996; 60/023,494, filed Aug. 7, 1996; and 60,023,742, filed Aug. 8, 1996.

FIELD OF THE INVENTION

This invention relates to a method of inhibiting cathepsin K by administering compounds with certain structural, physical and spatial characteristics that allow for the interaction of said compounds with specific residues of the active site of the enzyme. This interaction between the compounds of this invention and the active site inhibits the activity of cathepsin K and these compounds are useful for treating diseases in which said inhibition is indicated, such as osteoporosis and periodontal disease. This invention also relates to a novel crystalline structure of cathepsin K, the identification of a novel protease catalytic active site for this enzyme and methods enabling the design and selection of inhibitors of said active site.

BACKGROUND OF THE INVENTION

Cathepsin K is a member of the family of enzymes which are part of the papain superfamily of cysteine proteases. Cathepsins B, H, L, N and S have been described in the literature. Recently, cathepsin K polypeptide and the cDNA encoding such polypeptide were disclosed in U.S. Pat. No. 5,501,969 (called cathepsin O therein). Cathepsin K has been recently expressed, purified, and characterized. Bossard, M. J., et al., (1996) J. BioL Chem. 271, 12517-12524; Drake, F. H., et al., (1996) J. BioL Chem. 271, 12511-12516; Bromme, D., et al., (1996) J. BioL Chem. 271, 2126-2132.

Cathepsin K has been variously denoted as cathepsin O, cathepsin X or cathepsin O2 in the literature. The designation cathepsin K is considered to be the more appropriate one (name assigned by Nomenclature Committee of the International Union of Biochemistry and Molecular Biology).

Cathepsins of the papain superfamily of cysteine proteases function in the normal physiological process of protein degradation in animals, including humans, e.g., in the degradation of connective tissue. However, elevated levels of these enzymes in the body can result in pathological conditions leading to disease. Thus, cathepsins have been implicated in various disease states, including but not limited to, infections by pneumocystis carinii, trypsanoma cruzi, trypsanoma brucei brucei, and Crithidia fusiculata; as well as in schistosomiasis malaria, tumor metastasis, metachromatic leukodystrophy, muscular dystrophy, amytrophy, and the like. See International Publication Number WO 94/04172, published on Mar. 3, 1994, and references cited therein. See also European Patent Application EP 0 603 873 A1, and references cited therein. Two bacterial cysteine proteases from P. gingivallis, called gingipains, have been implicated in the pathogenesis of gingivitis. Potempa, J., et al. (1994) Perspectives in Drug Discovery and Design, 2, 445-458.

Cathepsin K is believed to play a causative role in diseases of excessive bone or cartilage loss. Bone is composed of a protein matrix in which spindle- or plate-shaped crystals of hydroxyapatite are incorporated. Type I Collagen represents the major structural protein of bone comprising approximately 90% of the structural protein. The remaining 10% of matrix is composed of a number of non-collagenous proteins, including osteocalcin, proteoglycans, osteopontin, osteonectin, thrombospondin, fibronectin, and bone sialoprotein. Skeletal bone undergoes remodeling at discrete foci throughout life. These foci, or remodeling units, undergo a cycle consisting of a bone resorption phase followed by a phase of bone replacement.

Bone resorption is carried out by osteoclasts, which are multinuclear cells of hematopoietic lineage. The osteoclasts adhere to the bone surface and form a tight sealing zone, followed by extensive membrane ruffling on their apical (i.e., resorbing) surface. This creates an enclosed extracellular compartment on the bone surface that is acidified by proton pumps in the ruffled membrane, and into which the osteoclast secretes proteolytic enzymes. The low pH of the compartment dissolves hydroxyapatite crystals at the bone surface, while the proteolytic enzymes digest the protein matrix. In this way, a resorption lacuna, or pit, is formed. At the end of this phase of the cycle, osteoblasts lay down a new protein matrix that is subsequently mineralized. In several disease states, such as osteoporosis and Paget's disease, the normal balance between bone resorption and formation is disrupted, and there is a net loss of bone at each cycle. Ultimately, this leads to weakening of the bone and may result in increased fracture risk with minimal trauma.

The abundant selective expression of cathepsin K in osteoclasts strongly suggests that this enzyme is essential for bone resorption. Thus, selective inhibition of cathepsin K may provide an effective treatment for diseases of excessive bone loss, including, but not limited to, osteoporosis, gingival diseases such as gingivitis and periodontitis, Paget's disease, hypercalcemia of malignancy, and metabolic bone disease. Cathepsin K levels have also been demonstrated to be elevated in chondroclasts of osteoarthritic synovium. Thus, selective inhibition of cathepsin K may also be useful for treating diseases of excessive cartilage or matrix degradation, including, but not limited to, osteoarthritis and rheumatoid arthritis. Metastatic neoplastic cells also typically express high levels of proteolytic enzymes that degrade the surrounding matrix. Thus, selective inhibition of cathepsin K may also be useful for treating certain neoplastic diseases.

Surprisingly, it has been found that a broad, structurally diverse series of compounds have common structural, physical and spatial characteristics that allow for the interaction of said compounds with specific residues of the active site of cathepsin K and are useful for treating diseases in which inhibition of bone resorption is indicated, such as osteoporosis and periodontal disease. Thus, this invention relates to the method of inhibiting cathepsin K using compounds having the characteristics hereinbelow defined.

SUMMATY OF THE INVENTION

In one aspect, the present invention provides a method for inhibiting cathepsin K by administering compounds with certain structural, physical and spatial characteristics that allow for the interaction of said compounds with specific residues of the active site of the enzyme. This interaction inhibits the activity of cathepsin K and, thus, treats diseases in which bone resorption is a factor.

In another aspect, the present invention provides a novel cysteine protease in crystalline form.

In yet another aspect, the invention provides a novel protease composition characterized by a three dimensional catalytic site formed by the atoms of the amino acid residues listed in Table XXIX.

In still another aspect, the invention provides a method for identifying inhibitors of the compositions described above which methods involve the steps of: providing the coordinates of the protease structure of the invention to a computerized modeling system; identifying compounds which will bind to the structure; and screening the compounds or analogs derived therefrom identified for cathepsin K inhibitory bioaotivity.

Other aspects and advantages of the present invention are described further in the following detailed description of the preferred embodiments thereof

BRIEF DESCRIPTION OF THE DRAWINGS

FIG. 1 is the amino acid sequence of cathepsin K SEQ ID NO1 aligned with the amino acid sequences of other cysteine proteases SEQ ID NO: 2, SEQ ID NO: 3, SEQ ID NO: 4, SEQ ID NO: 5, SEQ ID NO: 6, SEQ ID NO: 7.

FIG. 2 is a ribbon diagram of cathepsin K. The amino and carboxyl-termini are indicated by N and C. The drawing was produced using the program MOLSCRIPT [Kraulis, P., J. Appl. Crystallogr., 24, 946-950 (1991)].

FIG. 3 is a ribbon diagram of cathepsin K in complex with E-64, a known inhibitor of cysteine proteases. The drawing was produced using the program MOLSCRIPT.

FIG. 4 is an illustration of the active site of cathepsin K.

FIG. 5 is a stereoview of the active site of cathepsin K. For clarity, no hydrogen atoms or water molecules are shown.

FIGS. 6, 8, 10, 12, 14, 16, 18, 20, and 22 are illustrations of the active site of cathepsin K in complex with novel inhibitors of cathepsin K. (FIG. 6: Inhibitor=3(S)-3-[(N-benzyloxycarbonyl)-L-leucinyl]amino-5-methyl-1-(1-propoxy)-2-hexane; FIG. 8: Inhibitor =bis-(cbz-leucinyl)-1,3-diamino-propan-2-one; FIG. 10: Inhibitor =2,2′-N,N′-bis-benzyloxycarbonyl-L-leucinylcarbohydrazide; FIG. 12: Inhibitor =(1 S)-N-[2-[(1-benzyloxycarbonylamino)-3-methylbutyl]thiazol4-ylcarbonyl]-N′-(N-benzyloxycarbonyl-L-leucinyl)hydrazide; FIG. 14: Inhibitor=2-[N-(3-benzyloxybenzoyl)]-2′-[N′-(N-benzyloxycarbonyl-L-leucinyl)]carbohydrazide; FIG. 16: Inhibitor=4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone; FIG. 18: Inhibitor=4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy) carbonyl]-L-leucyl]-3-pyrrolidinone; FIG. 20: Inhibitor=4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-N[N-(methyl)-L-leucyl)]-3-pyrrolidinone; FIG. 22: Inhibitor=l-N-(N-imidazole acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-one.

FIGS. 7, 9, 11, 13, 15, 17, 19, 21 and 23 are stereoviews of the active site of cathepsin K in complex with novel inhibitors of cathepsin K. (FIG. 7: Inhibitor=3(S)-3-[(N-benzyloxycarbonyl)-L-leucinyl]amino-5-methyl-1-(1-propoxy)-2-hexane; FIG. 9: Inhibitor=bis-(cbz-leucinyl)-1,3-diamino-propan-2-one; FIG. 11: Inhibitor=2,2′-N,N′-bis-benzyloxycarbonyl-L-leucinylcarbohydrazide; FIG. 13: Inhibitor=(1S)-N-[2-[(1-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-N′-(N-benzyloxycarbonyl-L-leucinyl)hydrazide; FIG. 15: Inhibitor=2-[N-(3-benzyloxybenzoyl)]-2′-[N′-(N-benzyloxycarbonyl-L-leucinyl)]carbohydrazide; FIG. 17: Inhibitor=4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone; FIG. 19: Inhibitor=4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy) carbonyl]-L-leucyl]-3-pyrrolidinone; FIG. 21: Inhibitor=4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy) carbonyl]-L-leucyl]-3-pyrrolidinone; FIG. 23: Inhibitor=1-N-(N-imidazole acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-one.

These views depict the interaction of each inhibitor with all atoms of residues of the active site of cathepsin K within 5A of the inhibitors. For clarity, no hydrogen atoms or water molecules are shown.

DETAILED DESCRIPTION OF THE INVENTION

The present invention provides a novel cysteine protease crystalline structure, a novel cysteine protease active site, and methods of use of the crystalline form and active site to identify protease inhibitor compounds.

In particular, the present invention provides a method for inhibiting cathepsin K by administering compounds with certain structural, physical and spatial characteristics that allow for the interaction of said compounds with specific residues of the active site of the enzyme. This interaction inhibits the activity of cathepsin K and, thus, treats diseases in which bone resorption is a factor.

Specifically, the inhibitors of cathepsin K used in the present invention interact with any two or more of the following:

1. Tyrosine 67 sidechain;

2. Hydrophobic pocket lined with atoms from methinoine 68, leucine 209, alanine 163, alanine 134 and portions of tyrosine 67;

3. Hydrogen bonds donated by glycine 66 amide nitrogen;

4. Cysteine 25 the active site nucleophile;

5. Mainchain interactions from residues glutamine 21, cysteine 22, and glycine 23;

6. Tryptophan 184 sidechain; and

7. Hydrophobic contacts with the sidechain atoms of glutamine 143 and asparagine 161 and the mainchain of alanine 137 and serine 138.

Preferably, the inhibitors of cathepsin K used in the present invention interact with any three or more of the above-identified regions of the active site.

The compounds used in the methods of the present invention possess an electrophilic carbon and either a hydrophobic group whose centroid is 5.44-6.94 Å from the carbon or an aromatic group whose centroid is 9.24-11.24 Å from the carbon, or both the hydrophobic and the aromatic groups in which case the centroids of these two groups should be 15.67-16.67 Å apart. These features must be able to make the appropriate interactions with the cathepsin K active site. The electrophilic carbon atom should be 1.7-4.0 Å from the side chain sulfur atom (SG) on the amino acid cysteine 25. The hydrophobic group should be near the following amino acids with appropriate distance ranges between the centroid of the side chain atoms and the centroid of the hydrophobic group given in parentheses: tyrosine 67 (4.91-5.91 Å), methionine 68 (5.74-6.74 Å), alanine 134 (4.15-5.15), leucine 160 (6.18-7.18 Å), and leucine 209 (5.71-6.71 Å). The aromatic group should be near the either tryptophan 184 (4.10-7.10 Å) or tryptophan 188 (4.10-7.10 Å) or both.

The key structural features of the inhibitors of the present invention include an electrophilic carbon, preferably the carbon of a carbonyl group, a hydrophobic group, preferably an isobutyl group, and an aromatic group, preferably a phenyl group. The electrophilic carbon of the inhibitor may be in the same compound with two hydrophobic groups, such as two isobutyl groups, or two aromatic groups, such as two phenyl groups, or one hydrophobic group and one aromatic group.

Suitably, the method of inhibiting cathepsin K of the present invention comprises administering to a mammal, preferably a human, in need thereof a compound that fits spatially into the active site of cathepsin K, said compound comprising any two or more of the following:

(i) an electrophilic carbon atom that binds to the side chain sulfur atom of cysteine 25 wherein said electrophilic carbon atom is 1.7-4.0 Å from said sulfur atom;

(ii) a hydrophobic group that interacts with tryptophan 184 wherein the distance between the centroid of said hydrophobic group and the centroid of the side chain atoms of tryptophan 184 is 4.10-7.10 Å;

(iii) a hydrophobic group that interacts with tyrosine 67, methionine 68, alanine 134, leucine 160, and leucine 209, creating a hydrophobic pocket, and has distance ranges between the centroid of said hydrophobic group and the centroids of the side chain atoms of the amino acid residues of said hydrophobic pocket which are tyrosine 67: 4.91-5.91 Å, methionine 68: 5.74-6.74 Å, alanine 134: 4.15-5.15 Å, leucine 160: 6.18-7.18 Å, and leucine 209: 5.71-6.71 Å;

(iv) a hydrophobic group that interacts with tyrosine 67 wherein the distance between the centroid of said hydrophobic group and the centroid of the side chain atoms of tyrosine 67 is 4.10-7.10 Å;

(v) an amino group with a pKa of less than 7 or an oxygen atom, each of which interacts with a hydrogen atom donated by the amide nitrogen of glycine 66 wherein the distance between these two atoms is 2.7-3.5 Å;

(vi) a hydrophobic group that interacts with the main chain atoms of glutamine 21, cysteine 22 and glycine 23 wherein the distance between the centroid of said hydrophobic group and the centroids of glutamine 21, cysteine 22 and glycine 23 are 3.7-5.4, 4.9-5.7 and 5.4-6.7 Å, respectively; or

(vii) a hydrophobic group that interacts with the side chain atoms of glutamine 143 and asparagine 161 and the main chain of alanine 137 and serine 138 wherein the distance between the centroid of the hydrophobic group and the centroids of glutamine 143, asparagine 161, alanine 137, and serine 138 are 7.9-9.6 Å, 4.7-5.4 Å, 4.2-5.5 Å, and 4.6-6.4 Å, respectively. Preferably, the inhibitors of cathepsin K used in the present invention comprise three or more of the above.

Suitably, the method of inhibiting cathepsin K of the present invention comprises administering to a mammal, preferably a human, in need thereof, a compound that fits spatially into the active site of cathepsin K, said compound comprising:

(i) an electrophilic carbon atom that binds to the side chain sulfur atom of cysteine 25 wherein said electrophilic carbon atom is 1.7-4.0 Å from said sulfur atom; and

(ii) a hydrophobic group that interacts with tryptophan 184 wherein the distance between the centroid of said hydrophobic group and the centroid of the side chain atoms of tryptophan 184 is 4.10-7.10 Å. Preferably, the hydrophobic group that interacts with tryptophan 184 is an aromatic group and the centroid of this aromatic group is 9.24-11.24 Å from the centroid of the electrophilic carbon that binds to the side chain sulfur atom of cysteine 25.

Preferably, the electrophilic carbon that binds to the side chain sulfur atom of cysteine 25 is a carbonyl carbon.

Suitably, the method of the present invention further comprises a compound with a hydrophobic group that:

has a centroid which is 5.44-6.94 Å from said electrophilic carbon;

interacts with tyrosine 67, methionine 68, alanine 134, leucine 160, and leucine 209, creating a hydrophobic pocket; and

has distance ranges between the centroid of said hydrophobic group and the centroids of the side chain atoms of the amino acid residues of said hydrophobic pocket which are tyrosine 67: 4.91-5.91 Å, methionine 68: 5.74-6.74 Å, alanine 134: 4.15-5.15 Å, leucine 160: 6.18-7.18 Å, and leucine 209: 5.71-6.71 Å. Preferably, this hydrophobic group is an isobutyl group.

Alternately, the method of the present invention further comprises a compound with a hydrophobic group that interacts with tyrosine 67 wherein the distance between the centroid of said hydrophobic group and the centroid of the side chain atoms of tyrosine 67 is 4.10-7.10 Å. Preferably, this hydrophobic group is an aromatic group.

Alternately, the method of the present invention further comprises a compound with an amino group with a pKa of less than 7 or an oxygen atom, each of which interacts with a hydrogen atom donated by the amide nitrogen of glycine 66 wherein the distance between these two atoms is 2.7-3.5 Å. Preferably, the compound comprises an oxygen atom, such as an oxygen atom of a carbonyl group or an oxygen atom of a hydroxyl group.

Alternately, the method of the present invention further comprises a compound with a hydrophobic group that interacts with the main chain atoms of glutamine 21, cysteine 22 and glycine 23 wherein the distance between the centroid of the hydrophobic group and the centroids of glutamine 21, cysteine 22 and glycine 23 are 3.7-5.4, 4.9-5.7 and 5.4-6.7 Å, respectively. Preferably, this hydrophobic group is an isobutyl group.

Alternately, the method of the present invention further comprises a compound with a hydrophobic group that interacts with the side chain atoms of glutamine 143 and asparagine 161 and the mainchain of alanine 137 and serine 138 wherein the distance between the centroid of the hydrophobic group and the centroids of glutamine 143; asparagine 161, alanine 137, and serine 138 are 7.9-9.6 Å, 4.7-5.4 Å, 4.2-5.5 Å, and 4.6-6.4 Å, respectively.

Compounds used in the method of the present invention include, but are not limited to, the following:

3(S)-3-[(N-benzyloxycarbonyl)-L-leucinyl]amino-5-methyl-1-(1-propoxy)-2-hexanone;

4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone;

4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-N-[N-(methyl)-L-leucyl)]-3-pyrrolidinone;

4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone;

bis-(Cbz-leucinyl)-1,3-diamino-propan-2-one;

2-[N-(3-benzyloxybenzoyl)]-2′-[N′-(N-benzyloxycarbonyl-L-leucinyl)]carbohydrazide;

(1S)-N-[2-[(1-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-N′-(N-benzyloxycarbonyl-L-leucinyl)hydrazide;

1-N-(N-imidazole acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-one; and

2,2′-N,N′-bis-benzyloxycarbonyl-L-leucinylcarbohydrazide; or a pharmaceutically acceptable salt thereof.

Table I provides the three dimensional protein coordinates of the cathepsin K crystalline structure of the invention.

Tables II-X provide the three dimensional coordinates for the cathepsin K complex with specific inhibitors of the present invention.

Tables XI-XIX provide listings of the three atom angles between atoms of the inhibitors and the protein for all inhibitor atoms within 5 Angstroms of the protein.

Tables XX-XXVIII provide listings of the distances between atoms of the inhibitors and the protein for all inhibitor atoms within 5 Angstroms of the protein.

Table XXIX provides the atoms of the amino acid residues of the catalytic site.

As stated herein, the interaction of the inhibitor at the side chain sulfur atom of cysteine 25 has as one of its requirements that the inhibitor contain an “electrophilic carbon” atom. By this term is meant an electron deficient carbon. This term includes, but is not limited to, a carbonyl carbon atom. This term also includes an epoxide, a thiocarbonyl, an imine, and a nitrile. Suitably, this term may also be represented by the formula —C═N—X, wherein X may be optionally tied back to C in a ring or wherein X is CH₂, H, O, S or NR^(a) in which R^(a) is H of C ₁₄alkyl.

The hydrophobic groups that interact with tryptophan 184 or tyrosine 67 include, but are not limited to, aromatic groups. These hydrophobic groups include phenyl, C₁₋₆alkyl and heteroaryl, which is defined hereinbelow. The hydrophobic groups that interact with the hydrophobic pocket lined with atoms from tyrosine 67, methionine 68, alanine 134, leucine 160, and leucine 209 not only includes isobutyl, but also includes C₁₋₆alkyl, C₃₋₆cycloalkyl and adamantyl. The hydrophobic groups that interact with the main chain atoms of glutamine 21, cysteine 22 and glycine 23 or the side chain atoms of glutamine 143 and asparagine 161 and the mainchain of alanine 137 and serine 138 include C₁₋₁₀alkyl, C_(b)F_(2b+1), in which b is 1-3, and aryl and heteroaryl, each of which are defined hereinbelow.

As used herein, the term “centroid” means the position for the stated atoms calculated by averaging the x coordinates of the atoms to obtain the x coordinate of the centroid, averaging the y coordinates of the atoms to obtain the y coordinate of the centroid, and averaging the z coordinates of the atoms to obtain the z coordinate of the centroid.

The compounds used in the method of the present invention include, but are not limited to, the compounds of formula (I):

L=C₂₋₆alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl, CH(R⁶⁶)NR⁶⁰R⁶⁸, CH(R⁶⁶)Ar, CH(R⁶⁶)OAr′, NR⁶⁶R⁶⁷;

M=C(O), SO₂;

J=C(O), SO₂;

T=Ar, Het;

V=C₃₋₇cycloalkyl;

W=H, —CN, —CF₃, —NO₂, —COR⁷, —CO₂R⁶, —CONHR⁶, —SO₂NHR⁶, —NHSO₂R⁶, —NHCOR⁷, —O—COR⁶, —SR⁶, NR′R⁶, NR′(C═NH)NHR⁵, Cl, Br, I, F;

X═Y═Z═N, O, S or CR⁴,

provided that at least two of X, Y and Z are heteroatoms and at least one of X, Y and Z is N, or one of X, Y and Z is C═N, C═C or N═N and the other two are CR⁴ or N, provided that X, Y and Z together comprise at least two N;

indicates a single or double bond in the five-membered heterocycle;

m=0, 1, 2;

n=1 to 6;

f=0, 1, 2;

Ar=phenyl, naphthyl, optionally substituted by one or more of Ph-C₀₋₆alkyl, Het-C₀₋₆alkyl, C₁₋₆alkoxy, Ph-C₀₋₆alkoxy, Het-C₀₋₆alkoxy, OH, (CH₂)₁₋₆NR⁵⁸R⁵⁹, O(CH₂)₁₋₆NR⁵⁸R⁵⁹;

Ar′=phenyl or naphthyl, optionally substituted by one or more of Ph-C₀₋₆alkyl, Het-C₀₋₆alkyl, C₁₋₆alkoxy, Ph-C₀₋₆alkoxy, Het-C₀₋₆alkoxy, OH, (CH₂)₁₋₆NR⁵⁸R⁵⁹, O(CH₂)₁₋₆NR⁵⁸R⁵⁹, or halogen;

R′=H, C₁₋₆alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl;

R¹=H, C₁₋₆alkyl;

R²=C₄₋₆alkyl, C₄₋₆alkenyl, benzyl;

R³=C₁₋₆alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl, R⁵CO—, R⁵SO₂—, R⁵OC(O)—, R⁵NHCO—;

R⁴=H, C₁₋₆alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl;

R⁵=Ar-₀₋₆alkyl, Het-C₀₋₆alkyl;

R⁶=H, C₁₋₆alkyl, CH₂CF₃, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl;

R⁷=C₁₋₆alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl;

R⁸=H; C₂₋₆alkenyl; C₂₋₆alkynyl; Het; Ar; C₁₋₆alkyl, optionally substituted by OR′, SR′, NR′₂, CO₂R′, CO₂NR′₂, N(C═NH)NH₂, Het or Ar;

R⁹=H, C₁₋₆alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl;

R¹⁰=C₁₋₆alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl;

R¹¹=H, C₁₋₆alkyl, Ar-C₁₋₆alkyl, Het-C₀₋₆alkyl, or

R¹²=H, C₁₋₆alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl;

R¹³=H, C₁₋₆alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl;

Ac;

R¹⁵=H, C₁₋₆alkyl, C₂₋₆alkenyl, C₂₋₆alkynyl, Ar, Het, or C₁₋₆alkyl optionally substituted by OR⁹, NR⁹ ₂, CONR⁹ ₂, N(C═NH)NH—, Het or Ar;

R¹⁶=C₂₋₆alkyl, C₂₋₆alkenyl, C₂₋₆alkynyl, Ar, Het, or C₂₋₆alkyl optionally substituted by OR⁹, SR⁹, NR⁹ ₂, CO₂R⁹, CONR⁹ ₂, N(C═NH)NH—, Het or Ar;

R¹⁹=H, C₁₋₆alkyl, C₂₋₆alkenyl, C₂₋₆alkynyl, Ar, Het, or C₁₋₆alkyl optionally substituted by OR⁹, SR⁹, NR⁹ ₂, CO₂R⁹, CONR⁹ ₂, N(C═NH)NH—, Het or Ar;

R¹⁷=R⁷²=H, C₁₋₆alkyl, R¹⁰, R¹⁰ C(O)—, R¹⁰C(S)—, R¹⁰OC(O)—;

R²¹=R²⁶=C₅₋₆alkyl; C₂₋₆alkenyl; C₃₋₁₁cycloalkyl; T-C₃₋₆alkyl; V-C₁₋₆alkyl; T-C₂₋₆alkenyl;

T-(CH₂)_(n)CH(T)(CH₂)_(n); optionally substituted by one or two halogens, SR²⁰, OR²⁰,NR²⁰R²⁷ or C₁₋₄alkyl;

R²⁷=R²⁸CO, R²⁸OCO;

R²⁸=C₁₋₆alkyl; C₃₋₁₁cycloalkyl; Ar; Het; T-C₁₋₆alkyl;

T-(CH₂)_(n)CH(T)(CH₂)_(n); optionally substituted by one or two halogens, SR²⁰, OR²⁰, NR²⁰R⁷³, C₁₋₆alkyl;

R²⁰=R²²=R²³=R²⁴=R²⁵=R⁷³=H, C₁₋₄alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl;

 Cbz-leucinyl-; 2-, 3-, or 4-pyridyl methyloxycarbonyl-leucinyl-; 4-imidazole acetyl-leucinyl-, phenyl acetyl-leucinyl, N,N-dimethyl-glycinyl leucinyl, 4-pyridyl acetyl-leucinyl, 2-pyridyl sulfonyl-leucinyl, 4-pyridyl carbonyl-leucinyl, acetyl-leucinyl, benzoyl-leucinyl, 4-phenoxy-benzoyl-, 2- or 3-5 benzyloxybenzoyl-, biphenyl acetyl,alpha-isobutyl-biphenyl acentl, Cbz-phenylalaninyl, Cbz-norleucinyl-, Cbz-norvalinyl-, Cbz-glutamyl-, Cbz-epsilon-(t-butyl ester)-glutamyl; acetyl-leucinyl-, 6- or 8-quinoline carbonyl, biphenyl acetyl, alpha-isobutyl-biphenyl acetyl, acetyl, benzoyl, 2- or 3-benzyloxy benzoyl, 4-phenoxy benzoyl-, Cbz-amino acid-; 2-,3-, or 4-pyridylmethyloxycarbonyl-aminoacid-; aryl C₀-C₆alkyloxy carbonyl-amlno acid-, heteroaryl C₀-C₆alkyloxy carbonyl-arnino acid-,aryl C₀-C₆alkyloxy carbonyl-amino acid-, heteroaryl C₀-C₆alkyloxy carbonyl-amino acid-, C₁-C₆alkyloxy carbonyl-amino acid-; C₁-C₆alkyl carbonyl, aryl C₀-C₆alkyl carbonyl, heteroaryl C₀-C₆alkyl carbonyl, aryl C₀-C₆alkyl carbonyl, heteroaryl C₀-C₆alkyl carbonyl, C₁-C₆alkyl sulfonyl, aryl C₀-C₆alkyl sulfonyl, heteroarylC₀-C₆alkyl sulfonyl, aryl CO-C₆alkyl sulfonyl, heteroaryl C₀-C₆alkyl sulfonyl;

R³⁰=—H, C₁₋₆alkyl;

 Cbz-leucinyl-; 2-, 3-, or 4-pyridyl methyloxycarbonyl-leucinyl-; 4-imidazole acetyl-leucinyl-, phenyl acetyl-leucinyl, N,N-dimethyl-glycinyl leucinyl, 4-pyridyl acetyl-leucinyl, 2-pyridyl sulfonyl-leucinyl, 4-pyridyl carbonyl-leucinyl, acetyl-leucinyl, benzoyl-leucinyl, 4-phenoxy-benzoyl-, 2- or 3-benzyloxybenzoyl-, biphenyl acetyl, alpha-isobutyl-biphenyl acetyl, Cbz-phenylalaninyl, Cbz-norleucinyl-, Cbz-norvalinyl-, Cbz-glutamyl-, Cbz-epsilon-(t-butyl ester)-glutamyl; acetyl-leucinyl-, 6- or 8-quinoline carbonyl, biphenyl acetyl, alpha-isobutyl-biphenyl acetyl, acetyl, benzoyl, 2- or 3-benzyloxy benzoyl, 4-phenoxy benzoyl-, Cbz-amino acid-; 2-,3-, or 4-pyridylmethyloxycarbonyl-aminoacid-; aryl CO-C₆alkyloxy carbonyl-amino acid-, heteroaryl C₀-C₆alkyloxy carbonyl-amino acid-,aryl C₀-C₆alkyloxy carbonyl-amino acid-, heteroaryl C₀-C₆alkyloxy carbonyl-amino acid-, C₁-C₆alkyloxy carbonyl-amino acid-; C₁-C₆alkyl carbonyl, aryl C₀-C₆alkyl carbonyl, heteroaryl C₀-C₆alkyl carbonyl, aryl C₀-C₆alkyl carbonyl, heteroaryl C₀-C₆alkyl carbonyl, C₁-C₆alkyl sulfonyl, aryl C₀-C₆alkyl sulfonyl, heteroaryl C₀-C₆alkyl sulfonyl, aryl C₀-C₆alkyl sulfonyl, heteroaryl C₀-C₆alkyl sulfonyl;

R³²=OCH₂Ar, OCH2C₁₋₆alkyl, aryl substituted C₀₋₆alkyl, heteroaryl substituted C₀₋₆alkyl,4-imidazole methylene; 2-, 3-, or 4-pyridylmethylneneoxy; 4-pyridyl methylene, 2-pyridyl sulfonyl, 4-pyridyl, aryl substituted C₀₋₆alkyloxy, heteroaryl substituted C₀₋₆alkyloxy;

R³³=C₁₋₆alkyl, —CH₂Ph, —CH₂CH₂CO₂R³⁴;

R³⁴=-H, C₁₋₆alkyl;

R³⁵=Ar, HetAr;

R³⁶=Aryl, heteroaryl, pyridyl, isoquinolinyl;

R³⁷=C₁₋₆alkyl, —CH₂Ph, —CH₂CH₂CO₂R³⁴;

R³⁸=Cbz; C₁₋₆alkyl or aryl substituted Cbz; C₁₋₆alkyl —CO; benzoyl; C₁₋₆alkyl or aryl substituted benzoyl;

 Cbz-leucinyl-; 2-, 3-, or 4-pyridyl methyloxycarbonyl-leucinyl-; 4-imidazole acetyl-leucinyl-, phenyl acetyl-leucinyl, N,N-dimethyl-glycinyl leucinyl, 4-pyridyl acetyl-leucinyl, 2-pyridyl sulfonyl-leucinyl, 4-pyridyl carbonyl-leucinyl, acetyl-leucinyl, benzoyl-leucinyl, 4-phenoxy-benzoyl-, 2- or 3-benzyloxybenzoyl-, biphenyl acetyl, alpha-isobutyl-biphenyl acetyl, Cbz-phenylalaninyl, Cbz-norleucinyl-, Cbz-norvalinyl-, Cbz-glutamyl-, Cbz-epsilon-(t-butyl ester)-glutamyl; acetyl-leucinyl-, 6- or 8-quinoline carbonyl, biphenyl acetyl, alpha-isobutyl-biphenyl acetyl, acetyl, benzoyl, 2-or 3-benzyloxy benzoyl, 4-phenoxy benzoyl-, Cbz-amino acid-; 2-,3-, or 4-pyridylmethyloxycarbonyl-aminoacid-; aryl C₀-C₆alkyloxy carbonyl-amino acid-, heteroaryl C₀-C₆alkyloxy carbonyl-amino acid-,aryl C₀-C₆alkyloxy carbonyl-amino acid-,heteroaryl C₀-C₆alkyloxy carbonyl-amino acid-, C₁-C₆alkyloxy carbonyl-amino acid-; C₁-C₆alyl carbonyl, aryl C₀-C₆alkyl carbonyl, heteroaryl C₀-C₆alkyl carbonyl, aryl C₀-C₆alkyl carbonyl, heteroaryl C₀-C₆alkyl carbonyl, C₁-C₆alkyl sulfonyl, aryl C₀-C₆alkyl sulfonyl, heteroaryl C₀-C₆alkyl sulfonyl, aryl C₀-C₆alkyl sulfonyl, heteroaryl C₀-C₆alkyl sulfonyl;

R⁴⁰=H and C₁₋₆alkyl;

R⁴¹=H and C₁₋₆alkyl;

R⁴²=C₁₋₆alkyl, aryl substituted C₁₋₆alkyl and hetero aryl substituted C₁₋₆alkyl,; H when R⁴³ is C₁₋₆alkyl, aryl substituted C₁₋₆alkyl; and heteroaryl substituted C₁₋₆alkyl;

R⁴³=C₁₋₆alkyl, aryl substituted C₁₋₆alkyl and hetero aryl substituted C₁₋₆alkyl,; H when R⁴² is C₁₋₆alkyl, aryl substituted C₁₋₆alkyl; and heteroaryl substituted C₁₋₆alkyl;

R⁴⁴=CH(R⁵³)NR⁴⁵R⁵⁴, CH(R⁵⁵)Ar, C₅₋₆alkyl;

R⁴⁵=R⁴⁶=R⁴⁷=R⁴⁸=R⁴⁹=R⁵⁰=R⁵¹=H, C₁₋₆alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl;

R⁵²=Ar, Het, CH(R⁵⁶)Ar, CH(R⁵⁶)OAr, N(R⁵⁶)Ar, C₁₋₆alkyl, CH(R⁵⁶)NR⁴⁶R⁵⁷;

R⁵³=C₂₋₆alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl, R⁵³ and R⁴⁵ may be connected to form a pyrrolidine or piperidine ring;

R⁵⁴=R⁵⁷=R⁴⁷, R⁴⁷C(O), R⁴⁷C(S), R⁴⁷OC(O);

R⁵⁵=R⁵⁶=R⁵⁸=R⁵⁹=H, C₁₋₆alkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl;

R⁶⁰=R⁶¹=R⁶²=R⁶³=R64=H, C₁₋₆alkyl, Ar-C₀₋₆alkyl, or Het-C₀₋₆alkyl;

R⁶⁵=C₁₋₆alkyl, Ar, Het, CH(R⁶⁹)Ar, CH(R⁶⁹)OAr, N(R⁶⁹)Ar, CH(R⁶⁹)NR⁶¹ R⁷⁰;

R⁶⁶=R⁶⁹=R⁷¹=H, C₁₋₆alkyl, (CH₂)₀₋₆-C₃₋₆cycloalkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl;

R⁶⁷=C₁₋₆alkyl, (CH₂)₀₋₆-C₃₋₆cycloalkyl, Ar-C₀₋₆alkyl, Het-C₀₋₆alkyl; R⁶⁶ and R⁶⁷ may be combined to form a 3-7 membered monocyclic or 7-10-membered bicyclic carbocyclic or heterocyclic ring, optionally substituted with 1-4 of C ₁₋₆alkyl, Ph-C₀₋₆alkyl, Het-C₀₋₆alkyl, C₁₋₆alkoxy, Ph-C₀₋₆alkoxy, Het-C₀₋₆alkoxy, OH, (CH₂)₁₋₆NR⁵⁸R⁵⁹, O(CH₂)₁₋₆NR⁵⁸R⁵⁹;

R⁶⁸=R⁷⁰=R⁶², R⁶²C(O), R⁶²C(S), R⁶²OC(O), R⁶²OC(O)NR⁵⁹CH(R⁷¹)(CO);

and pharmaceutically acceptable salts thereof.

The compounds of Formula I are hydrazidyl, bis-hydrazidyl and bis-aminomethyl carbonyl compounds having in common key structural features required of protease substrates, most particularly cathepsin K substrates. These structural features endow the present compounds with the appropriate molecular shape necessary to fit into the enzymatic active site, to bind to such active site, thereby blocking the site and inhibiting enzymatic biological activity. Referring to Formula I, such structural features include the central electrophilic carbonyl, a peptidyl or peptidomimetic molecular backbone on either side of the central carbonyl, a terminal carbobenzyloxy moiety (e.g., Cbz-leucinyl), or a mimic thereof, on the backbone on one or both sides of the carbonyl, and optionally, an isobutyl side chain extending from the backbone on one or both sides of the carbonyl.

Abbreviations and symbols commonly used in the peptide and chemical arts are used herein to describe the compounds of the present invention. In general, the amino acid abbreviations follow the IUPAC-IUB Joint Commission on Biochemical Nomenclature as described in Eur. J. Biochem., 158, 9 (1984). The term “amino acid” as used herein refers to the D-or L-isomers of alanine, arginine, asparagine, aspartic acid, cysteine, glutamine, glutamic acid, glycine, histidine, isoleucine, leucine, lysine, methionine, phenylalanine, proline, serine, threonine, tryptophan, tyrosine and valine.

“C₁₋₆alkyl” as applied herein is meant to include substituted and unsubstituted methyl, ethyl, n-propyl, isopropyl, n-butyl, isobutyl and t-butyl, pentyl, n-pentyl, isopentyl, neopentyl and hexyl and the simple aliphatic isomers thereof. Any C₁₋₆alkyl group may be optionally substituted independently by one or two halogens, SR′, OR′, N(R′)₂, C(O)N(R′)₂, carbamyl or C₁₋₄alkyl, where R′ is C₁₋₆alkyl. Coalkyl means that no alkyl group is present in the moiety. Thus, Ar-C₀alkyl is equivalent to Ar.

“C₃₋₁₁cycloalkyl” as applied herein is meant to include substituted and unsubstituted cyclopropane, cyclobutane, cyclopentane, cyclohexane, cycloheptane, cyclooctane, cyclononane, cyclodecane, cycloundecane.

“C₂₋₆ alkenyl” as applied herein means an alkyl group of 2 to 6 carbons wherein a carbon-carbon single bond is replaced by a carbon-carbon double bond. C₂₋₆alkenyl includes ethylene, 1-propene, 2-propene, 1-butene, 2-butene, isobutene and the several isomeric pentenes and hexenes. Both cis and trans isomers are included.

“C₂₋₆alkynyl” means an alkyl group of 2 to 6 carbons wherein one carbon-carbon single bond is replaced by a carbon-carbon triple bond. C₂₋₆alkynyl includes acetylene, 1-propyne, 2-propyne, 1-butyne, 2-butyne, 3-butyne and the simple isomers of pentyne and hexyne.

“Halogen” means F, Cl, Br, and I.

“Ar” or “aryl” means phenyl or naphthyl, optionally substituted by one or more of Ph-C₀₋₆alkyl, Het-C₀₋₆alkyl, C₁₋₆alkoxy, Ph-C₀₋₆alkoxy, Het-C₀₋₆alkoxy, OH, (CH₂)₁₋₆NR⁵⁸R⁵⁹, O(CH₂)₁₋₆NR⁵⁸R⁵⁹; where R⁵⁸, R⁵⁹ is H, C₁₋₆alkyl, Ar-C₀₋₆alkyl; Het-C₀₋₆alkyl, from C₁₋₄alkyl, OR′, N(R′)₂, SR′, CF₃, NO₂, CN, CO₂R′, CON(R′), F, Cl, Br and I.

As used herein “Het” or “heterocyclic” represents a stable 5- to 7-membered monocyclic or a stable 7- to 10-membered bicyclic heterocyclic ring, which is either saturated or unsaturated, and which consists of carbon atoms and from one to three heteroatoms selected from the group consisting of N, O and S, and wherein the nitrogen and sulfur heteroatoms may optionally be oxidized, and the nitrogen heteroatom may optionally be quaternized, and including any bicyclic group in which any of the above-defined heterocyclic rings is fused to a benzene ring. The heterocyclic ring may be attached at any heteroatom or carbon atom which results in the creation of a stable structure, and may optionally be substituted with one or two moieties selected from C₁₋₄alkyl, OR′, N(R′)₂, SR′, CF₃, NO₂, CN, CO₂R′, CON(R′), F, Cl, Br and I, where R′is C₁₋₆alkyl. Examples of such heterocycles include piperidinyl, piperazinyl, 2-oxopiperazinyl, 2-oxopiperidinyl, 2-oxopyrrolodinyl, 2-oxoazepinyl, azepinyl, pyrrolyl, 4-piperidonyl, pyrrolidinyl, pyrazolyl, pyrazolidinyl, imidazolyl, pyridyl, pyrazinyl, oxazolidinyl, oxazolinyl, oxazolyl, isoxazolyl, morpholinyl, thiazolidinyl, thiazolinyl, thiazolyl, quinuclidinyl, indolyl, quinolinyl, isoquinolinyl, benzimidazolyl, benzopyranyl, benzoxazolyl, furyl, pyranyl, tetrahydrofuryl, tetrahydropyranyl, thienyl, benzoxazolyl, thiamorpholinyl sulfoxide, thiamorpholinyl sulfone, and oxadiazolyl. “HetAr” or “heteroaryl” means any heterocyclic moiety encompassed by the above definition of Het which is aromatic in character, e.g., pyridine.

It will be appreciated that the heterocyclic ring,

includes thiazoles, oxazoles, triazoles, thiadiazoles, oxadiazoles, isoxazoles, isothiazols, imidazoles, pyrazines, pyridazines, pyrimidines, triazines and tetrazines which are available by routine chemical synthesis and are stable. The single and double bonds (i.e., ) in such heterocycles are arranged based upon the heteroatoms present so that the heterocycle is aromatic (e.g., it is a heteroaryl group). The term heteroatom as applied herein refers to oxygen, nitrogen and sulfur. When the heteroaryl group comprises a five membered ring, W is preferably an electron withdrawing group, such as halogen, —CN, —CF₃, —NO₂, —COR⁷, —CO₂R⁶, —CONHR⁶, —SO₂NHR⁶, —NHSO₂R⁶, —NHCOR⁷, —O—COR⁶, —SR⁶ or NR′R⁶, or a similar electron withdrawing substituent as known in the art.

Certain radical groups are abbreviated herein. t-Bu refers to the tertiary butyl radical, Boc refers to the t-butyloxycarbonyl radical, Fmoc refers to the fluorenylmethoxycarbonyl radical, Ph refers to the phenyl radical, Cbz refers to the benzyloxycarbonyl radical.

Certain reagents are abbreviated herein. DCC refers to dicyclohexylcarbodiimide, DMAP is 2,6-dimethylaminopyridine, EDC refers to N-ethyl-N′(dimethylaminopropyl)-carbodiimide. HOBT refers to 1-hydroxybenzotriazole, DMF refers to dimethyl formanide, BOP refers to benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphate, DMAP is dimethylaminopyridine, Lawesson's reagent is 2,4-bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane-2,4-disulfide, NMM is N-methylmorpho line, TFA refers to trifluoroacetic acid, TFAA refers to trifluoroacetic anhydride and THF refers to tetrahydrofuran. Jones reagent is a solution of chromium trioxide, water, and sulfuric acid well-known in the art.

Compounds of formula (I) are prepared according to the methods detailed in Schemes 1-25.

In another aspect, the present invention provides a novel cysteine protease in crystalline form, as defined by the positions in Table I herein.

In still another aspect, the present invention provides a novel protease composition characterized by a three dimensional catalytic site formed by the atoms of the amino acid residues listed in Table XXIX herein.

The three dimensional (3D) structure of the instant protease reveals that human cathepsin K is highly homologous to other known cysteine proteinases of the papain family. Cathepsin-K folds into two subdomains separated by the active site cleft, a characteristic of the papain family of cysteine proteases. The overall fold of cathepsin K is very similar to that of papain and actinidin. There is an insertion of one additional residue in cathepsin K at residue alanine 79 compared to papain. This insertion is easily accommodated in the turn at the carboxy terminal end of the helix formed by residues methionine 68-lysine 77 of cathepsin K. There is a different conformation for the backbone atoms of residues asparagine 99 to lysine 103 at the surface of cathepsin K compared to that in papain. Other differences in the backbone conformations between cathepsin K and papain are: a two residue insertion in loop residues 126-127, a two residue insertion at residue aspartate 152, the insertion of 4 residues at glutamine 172 and a difference in the conformation of the loop around residue lysine 200. There are many more differences in the structure of human cathepsin K and human cathepsin B, however, the secondary structure is preserved well between these two enzymes.

Listed in FIG. 1 are the known amino acid sequences for the papain superfamily of cysteine proteases cathepsin K, cathepsin S, cathepsin L, papain, actinidin, cathepsin H and cathepsin B, aligned to illustrate the homologies there between.

According to the present invention the crystal structure of human cathepsin K has been determined in the absence of inhibitor and in complex with nine separate inhibitors at resolutions from 3.0 to 2.2 Angstroms. The structures were determined using the method of molecular replacement and refined to R_(c) values ranging from 0.190-0.267 with the exception of the enzyme in the absence of inhibitor which was not refined.

Further refinement of the atomic coordinates will change the numbers in Table I. Refinement of the crystal structure from another crystal form will result in a new set of coordinates, determination of the crystal structure of another cysteine rotease will also result in different set of numbers for coordinates in Table I which as an experimental error of approximately 0.4 Angstroms. Also for example, the amino acid sequence of the cysteine proteases can be varied by mutation derivatization or by use of a different source of the protein.

Human cathepsin K contains 215 amino acids and the model of the enzyme provided herein is represented by all 215 residues.

The cathepsin K crystal structure reveals an active site that is heretofor unknown and comprises a distinct three dimensional arrangement of atoms.

Table I discloses the protein coordinates of cathepsin K. These data are reported for the crystal structures described herein. The data are reported in Angstroms with reference to an orthogonal coordinate system in standard format, illustrating the atom, i.e., nitrogen, oxygen, carbon, sulfur (at α, β, γ, δ, or ε, positions in the amino acid residues); the amino acid residue in which the atom is located with amino acid number, and the coordinates X, Y and Z in Angstroms (Å) from the crystal structure. Note that each atom in the active site and the entire structure has an unique position in the crystal. The data also report the B or Temperature Factor values, which indicate the degree of thermal motion of the atom in root mean square displacement measurements (Å²). FIG. 2 illustrates the cathepsin K structure of the invention, including the active site.

The active site of cathepsin K bound to E-64 is shown in FIG. 3. The conformation of E-64 bound to cathepsin K resembles that seen in the published structures of the papain-E-64 complex (Varughese, K. I., Biochemistry 28, 1330-1332 (1989)) and actinidin-E-64 Varughese, K. I., Biochemistry 31, 5172-5176 (1992)). The covalent bond between the sulfur of cysteine 25 and the carbon C2 of the inhibitor is very clear in the electron density. Differences in the sidechain atoms lining the active site pockets on the enzyme of the various members of the papain family of cysteine proteases give rise to different interactions between the atoms of E-64 and the protein in these structures. In cathepsin K, the isobutyl atoms of the leucine lie well buried in the hydrophobic pocket formed by the side chain atoms of the cathepsin K residues leucine 160, alanine 134 and methionine 68 shielding these atoms of E-64 from solvent. In papain the leucyl side chain atoms of E-64 do not penetrate as deeply into this hydrophobic pocket. Another pocket of cathepsin K is occupied by the guanidinium atoms of E-64. A hydrogen bond forms between N4 of E-64 and the backbone carbonyl oxygen of glutamate 59 and the OD2 oxygen of aspartate 61. The carboxylate oxygen of aspartate 61 also makes a hydrogen bond with the N3 atom of E-64. The sidechain atoms of aspartate 61 lie at the entrance to this pocket in cathepsin K. These interactions are not possible in papain because the corresponding residue in papain is tyrosine 61 which blocks access. The carboxylate oxygens of E-64 make hydrogen bonding interactions with the ND 1 atom of histidine 162 and the NE2 atom of glutamine 19. These interactions are also seen in papain and actinidin. The atoms of E-64 do not penetrate the complete region of the enzyme active site. As in papain, the backbone nitrogen atoms of residue glycine 66 in cathepsin K makes a hydrogen bond with the carbonyl oxygen atom O4 of the E-64. Also, the carbonyl oxygen of glycine 66 of cathepsin K forms a hydrogen bond with N2 of E-64. A portion of the regions of the active site are very similar in conformation in cathepsin K, papain and actinindin. A comparison of the active site of cathepsin K and cathepsin B reveals many more differences than observed in comparing papain or actinidin to cathepsin K. A portion of the active site of cathepsin B differs significantly from the corresponding portion of the active site in cathepsin K. The presence of the loop glutamate 107-proline 116 in human cathepsin B is presumed responsible for the dipeptidyl carboxypeptidase activity of this enzyme and has no equivalent in cathepsin K, papain or actinidin. This loop makes this region of the active site of cathepsin B much smaller than in the other members of this papain family of cysteine proteases including cathepsin K. Despite the differences between the active sites of human cathepsin B and cathepsin K, the active site cysteine residues are almost exactly superimposed by an alignment of structurally homologous alpha carbon atoms in cathepsin B and cathepsin K. Differences in the hydrophobic pocket near leucine 160 in cathepsin K are also evident in cathepsin B. The residues forming this pocket are replaced by proline 78 in place of methionine 68 in cathepsin K and glutamate 243 in cathepsin B is structurally equivalent to leucine 160 in cathepsin K. Interestingly, the residues whose sidechain atoms form hydrogen bonds to the E-64 inhibitor in cathepsin K, namely histidine 162, glutamine 19 and aspartate 61, have structurally homologous residues in cathepsin B, namely histidine 197, glutamine 23 and aspartate 67 respectively.

Specific interactions of certain inhibitors of the present invention at the active site of cathepsin K are detailed hereinbelow.

3(S)-3-[(N-benzyloxycarbonyl)-L-leucinyl]amino-5-methyl-1-(1-propoxy)-2-hexanone makes hydrophobic contacts with the enzyme residues indole ring of tryptophan 184 and the sidechain atom CG of glutamine 19. Oxygen O26 forms a bifurcated hydrogen bond with the amide nitrogen of cysteine 25 and the NE2 atom of glutamine 19. The active site nucleophilic sulfur of residue cysteine 25 is covalently linked to carbon C25 of the inhibitor, which adopts a tetrahedral conformation.

Bis-(Cbz-leucinyl)-1,3-diamino-propan-2-one exhibits the same interaction as 3(S)-3-[(N-benzyloxycarbonyl)-L-leucinyl]amino-5-methyl-1-(1-propoxy)-2-hexanone; carbon C21 of this inhibitor is covalently linked to SG of cysteine 25. The isopropyl atoms CC34,C35,C36 and C37 of the inhibitor form hydrophobic interactions with the sidechain atoms of residues on the enzyme surface, which form a hydrophobic pocket. This pocket is formed by atoms from methionine 68, leucine 209, alanine 163 and alanine 134 and portions of tyrosine 67.

2,2′-N,N′-bis-benzyloxycarbonyl-L-leucinylcarbohydrazide has interactions similar to bis-(Cbz-leucinyl)-1,3-diamino-propan-2-one and, in ajdition, the atoms C23-29 of the inhibitor CBZ group make an edge-face stacking interaction with the phenol ring of tyrosine 67. Inhibitor atom C21 is covalently bound the enzyme.

The sulfur atom of (1S)-N-[2-[(1-benzyloxycarbonylamino)-3-methylbutyl]thiazol4-ylcarbonyl]-N′-(N-benzyloxycarbonyl-L-leucinyl)hydrazide contacts the ND1 atom of histidine 163 and the indole ring of tryptophan 184. Carbon C22 is covalently attached to SG of cysteine 25.

The CBZ atoms C20-26 of 2-[N-(3-benzyloxybenzoyl)]-2′-[N′-(N-benzyloxycarbonyl-L-leucinyl)]carbohydrazide interact with the sidechain atoms of leucine 160. Carbon C 19 is covalently attached to SG of cysteine 25.

Cathepsin K binds selectively one stereoisomer of 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-Ieucyl]-3-pyrrolidinone. Carbon C22 is covalently attached to SG of cysteine 25. Atoms C14 and C15 of the inhibitor 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone form hydrophobic contacts with the sidechain atoms of glutamine 143 and asparagine 161 and the mainchain of alanine 137 and serine 138.

4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-I-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone interacts in a similar manner to 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone. Again one stereoisomer is bound. Carbon C17 is covalently attached to SG of cysteine 25. The interaction of 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-N[N-(methyl)-L-leucyl)]-3-pyrrolidinone is the same as for 4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone, except carbon C22 is covalently attached to SG of cysteine 25.

Atom 024 of 1-N-(N-imidazole acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-one forms a hydrogen bond interaction with the amide NH of glycine 66. Carbon C19 is covalently attached to SG of cysteine 25.

In summary, all inhibitors exhibit an aromatic interaction with atoms of the indole of Tryptophan 184. Isopropyl atoms C12-15 of 2,2′-N,N′-bis-benzyloxycarbonyl-L-leucinylcarbohydrazide and (1S)-N-[2-[(1-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-N′-(N-benzyloxycarbonyl-L-leucinyl)hydrazide make hydrophobic contacts with main chain atoms of residues glutamine 21, cysteine 22 and glycine 23. The NE2 atom of glutarnine 19 is able to donate a hydrogen bond to oxygen atom 2,2′-N,N′-bis-benzyloxycarbonyl-L-leucinylcarbohydrazide:O22, 1-N-(N-imidazole acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-one:O20, 2-[N-(3-benzyloxybenzoyl)]-2′-[N′-(N-benzyloxycarbonyl-L-leucinyl)]carbohydrazide:020, 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone:O23, bis-(Cbz-leucinyl)-1,3-diamino-propan-2-one:O22, 3(S)-3-[(N-benzyloxycarbonyl)-L-leucinyl]amnino-5-methyl-1-(1-propoxy)-2-hexanone:O26, 4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone:042, (1S, 2′R)-N-2-[[(1-benzyloxycarbonyl)amino]-3-methylbutyl]thiazol4-ylcarbonyl-N′-2′-(benzyloxycarbonyl)amino4′-methylpenanoylhydrazide:O23, 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-N[N-(methyl)-L-leucyl)]-3-pyrrolidinone:O23. The backbone amide nitrogen of glycine 66 donates a hydrogen bond to 2,2′-N,N′-bis-benzyloxycarbonyl-L-leucinylcarbohydrazide:O39, 1-N-(N-imidazole acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-one:O24, 2-[N-(3-benzyloxybenzoyl)]-2′-[N′-(N-benzyloxycarbonyl-L-leucinyl)]carbohydrazide:O37, 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone:O40, bis-(Cbz-leucinyl)-1,3-diamino-propan-2-one:O39, (1S, 2′R)-N-2-[[(1-benzyloxycarbonyl)amino]-3-methylbutyl]thiazol4-ylcarbonyl-N′-2′-(benzyloxycarbonyl)amino4′-methylpenanoylhydrazide:O40, 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-N[N-(methyl)-L-leucyl)]-3-pyrrolidinone:O31. The hydrophobic pocket lined with atoms from residues methionine 68, leucine 209, alanine 163 and alanine 134 and portions of tyrosine 67 interact with the isopropyl atoms; bis-(Cbz-leucinyl)-1,3-diamino-propan-2-one:C34-37, 2,2′-N,N′-bis-benzyloxycarbonyl-L-leucinylcarbohydrazide: C34-37, (1 S)-N-[2-[(1-benzyloxycarbonylamino)-3-methylbutyl]thiazol4-ylcarbonyl]-N′-(N-benzyloxycarbonyl-L-leucinyl)hydrazide; :C35-38, ²-[N-(³-benzyloxybenzoyl)]-2′-[N′-(N-benzyloxycarbonyl-L-leucinyl)]carbohydrazide:C32-35, 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone:C35-38, 4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone:C19-22, 1-N-(N-imidazole acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-one:C26-29. All inhibitors except 3(S)-3-[(N-benzyloxycarbonyl)-L-leucinyl]amino-5-methyl-1-(1-propoxy)-2-hexanone and 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-N[N-(methyl)-L-leucyl)]-3-pyrrolidinone have aromatic groups that interact with tyrosine 67 on the protein. All inhibitors are covalently linked to the cysteine 25 SG atom through an inhibitor carbon atom.

The crystal structure of the protease of the present invention reveals the three dimensional structure of novel active site formed by the atoms of the amino acid residues listed in Table XXIX.

This structure is clearly useful in the structure-based design of protease inhibitors, which may be used as therapeutic agents against diseases in which inhibition of bone resorption is indicated. The discovery of the novel cathepsin K catalytic site permits the design of potent, highly selective protease inhibitors.

Another aspect of this invention involves a method for identifying inhibitors of cathepsin K characterized by the crystal structure and novel active site described herein, and the inhibitors themselves. The novel protease crystal structure of the invention permits the identification of inhibitors of protease activity. Such inhibitors may bind to all or a portion of the active site of cathepsin K; or even be competitive or non-competitive inhibitors. Once identified and screened for biological activity, these inhibitors may be used therapeutically or prophylactically to block protease activity.

One design approach is to probe the cathepsin K of the invention with molecules composed of a variety of different chemical entities to determine optimal sites for interaction between candidate cathepsin K inhibitors and the enzyme. For example, high resolution X-ray diffraction data collected from crystals saturated with solvent allows the determination of where each type of solvent molecule sticks. Small molecules that bind tightly to those sites can then be designed and synthesized and tested for their cathepsin K inhibitor activity.

This invention also enables the development of compounds that can isomerize to short-lived reaction intermediates in the chemical reaction of a substrate or other compound that binds to or with cathepsin K. Thus, the time-dependent analysis of structural changes in cathepsin K during its interaction with other molecules is permitted. The reaction intermediates of cathepsin K can also be deduced from the reaction product in co-complex with cathepsin K. Such information is useful to design improved analogues of known cysteine protease inhibitors or to design novel classes of inhibitors based on the reaction intermediates of the cathepsin K enzyme and cathepsin K inhibitor co-complex. This provides a novel route for designing cathepsin K inhibitors with both high specificity and stability.

Another approach made possible by this invention, is to screen computationally small molecule data bases for chemical entities or compounds that can bind in whole, or in part, to the cathepsin K enzyme. In this screening, the quality of fit of such entities or compounds to the binding site may be judged either by shape complementarity [R. L. DesJarlais et al., J. Med. Chem. 31:722-729 (1988)] or by estimated interaction energy [E. C. Meng et al, J. Comp. Chem., 13:505-524 (1992)].

Because cathepsin K may crystallize in more than one crystal form, the structure coordinates of cathepsin K, or portions thereof, as provided by this invention are particularly useful to solve the structure of those other crystal forms of cathepsin K. They may also be used to solve the structure of cathepsin K mutants, cathepsin K co-complexes, or of the crystalline form of any other protein with significant amino acid sequence homology to any functional domain of cathepsin K.

One method that may be employed for this purpose is molecular replacement. In this method, the unknown crystal structure, whether it is another crystal form of cathepsin K, a cathepsin K mutant, or a cathepsin K co-complex, or the crystal of some other protein with significant amino acid sequence homology to any functional domain of cathepsin K, may be determined using the cathepsin K structure coordinates of this invention as provided in Table I. This method will provide an accurate structural form for the unknown crystal more quickly and efficiently than attempting to determine such information ab initio.

Thus, the cathepsin K structure provided herein permits the screening of known molecules and/or the designing of new molecules which bind to the protease structure, particularly at the active site, via the use of computerized evaluation systems. For example, computer modeling systems are available in which the sequence of the protease, and the protease structure (i.e., atomic coordinates of cathepsin K and/or the atomic coordinate of the active site cavity, bond angles, dihedral angles, distances between atoms in the active site region, etc. as provided by Table I may be input. Thus, a machine readable medium may be encoded with data representing the coordinates of Table I in this process. The computer then generates structural details of the site into which a test compound should bind, thereby enabling the determination of the complementary structural details of said test compound.

More particularly, the design of compounds that bind to or inhibit cathepsin K according to this invention generally involves consideration of two factors. First, the compound must be capable of physically and structurally associating with cathepsin K. Non-covalent molecular interactions important in the association of cathepsin K with its substrate include hydrogen bonding, van der Waals and hydrophobic interactions.

Second, the compound must be able to assume a conformation that allows it to associate with cathepsin K. Although certain portions of the compound will not directly participate in this association with cathepsin K, those portions may still influence the overall conformation of the molecule. This, in turn, may have a significant impact on potency. Such conformational requirements include the overall three-dimensional structure and orientation of the chemical entity or compound in relation to all or a portion of the binding site, e.g., active site or accessory binding site of cathepsin K, or the spacing between functional groups of a compound comprising several chemical entities that directly interact with cathepsin K.

The potential inhibitory or binding effect of a chemical compound with cathepsin K may be estimated prior to its actual synthesis and testing by the use of computer modeling techniques. If the theoretical structure of the given compound suggests insufficient interaction and association between it and cathepsin K, synthesis and testing of the compound is obviated. However, if computer modeling indicates a strong interaction, the molecule may then be synthesized and tested for its ability to bind to cathepsin K in a suitable assay. In this manner, synthesis of inoperative compounds may be avoided.

An inhibitory or other binding compound of cathepsin K may be computationally evaluated and designed by means of a series of steps in which chemical entities or fragments are screened and selected for their ability to associate with the individual binding pockets or other areas of cathepsin K.

One skilled in the art may use one of several methods to screen chemical entities or fragments for their ability to associate with cathepsin K and more particularly with the individual binding pockets of the cathepsin K active site or accessory binding site. This process may begin by visual inspection of, for example, the active site on the computer screen based on the cathepsin K coordinates in Table I. Selected fragments or chemical entities may then be position cathepsin K. Docking may be accomplished using software such as Quanta and Sybyl, followed by energy minimization and molecular dynamics with standard molecular mechanics forcefields, such as CHARMM and AMBER.

Specialized computer programs may also assist in the process of selecting fragments or chemical entities. These include:

GRID [P. J. Goodford, “A Computational Procedure for Determining Energetically Favorable Binding Sites on Biologically Important Macromolecules”, J. Med. Chem., 28:849-857 (1985)]. GRID is available from Oxford University, Oxford, UK.

MCSS [A. Miranker and M. Karplus, “Functionality Maps of Binding Sites: A Multiple Copy Simultaneous Search Method”, Proteins: Structure. Function and Genetics, 11:29-34 (1991)]. MCSS is available from Molecular Simulations, Burlington, Mass.

AUTODOCK [D. S. Goodsell and A. J. Olsen, “Automated Docking of Substrates to Proteins by Simulated Annealing”, Proteins: Structure. Function. and Genetics, 8:195-202 (1990)]. AUTODOCK is available from Scripps Research Institute, La Jolla, Calif.

DOCK [I. D. Kuntz et al, “A Geometric Approach to Macromolecule-Ligand Interactions”, J. Mol. Biol., 161:269-288 (1982)]. DOCK is available from University of California, San Francisco, Calif.

Additional commercially available computer databases for small molecular compounds includes Cambridge Structural Database and Fine Chemical Database, for a review see Rusinko, A., Chem. Des. Auto. News 8, 44-47 (1993).

Once suitable chemical entities or fragments have been selected, they can be assembled into a single compound or inhibitor. Assembly may be proceeded by visual inspection of the relationship of the fragments to each other on the three-dimensional image displayed on a computer screen in relation to the structure coordinates of cathepsin K. This would be followed by manual model building using software such as Quanta or Sybyl.

Useful programs to aid one of skill in the art in connecting the individual chemical entities or fragments include:

CAVEAT [P. A. Bartlett et al, “CAVEAT: A Program to Facilitate the Structure-Derived Design of Biologically Active Molecules”, in Molecular Recognition in Chemical and Biological Problems”, Special Pub., Royal Chem. Soc. 78, pp. 182-196 (1989)]. CAVEAT is available from the University of California, Berkeley, Calif.

3D Database systems such as MACCS-3D (MDL Information Systems, San Leandro, Calif). This area is reviewed in Y. C. Martin, “3D Database Searching in Drug Design”, J. Med. Chem., 35:2145-2154 (1992).

HOOK (available from Molecular Simulations, Burlington, Mass.).

Instead of proceeding to build a cathepsin K inhibitor in a step-wise fashion one fragment or chemical entity at a time as described above, inhibitory or other type of binding compounds may be designed as a whole or “de novo” using either an empty active site or optionally including some portion(s) of a known inhibitor(s). These methods include:

LUDI [H.-J. Bohm, “The Computer Program LUDI: A New Method for the De Novo Design of Enzyme Inhibitors”, J. Comp. Aid. Molec. Design 6:61-78 (1992)]. LUDI is available from Biosym Technologies, San Diego, Calif.

LEGEND [Y. Nishibata and A. Itai, Tetrahedron, 47:8985 (1991)]. LEGEND is available from Molecular Simulations, Burlington, Mass.

LeapFrog (available from Tripos Associates, St. Louis, Mo.).

Other molecular modeling techniques may also be employed in accordance with this invention. See, e.g., N. C. Cohen et al, “Molecular Modeling Software and Methods for Medicinal Chemistry”, J. Med. Chem., 33:883-894 (1990). See also, M. A. Navia and M. A. Murcko, “The Use of Structural Information in Drug Design”, Current Opinions in Structural Biology, 2:202-210 (1992). For example, where the structures of test compounds are known, a model of the test compound may be superimposed over the model of the structure of the invention. Numerous methods and techniques are known in the art for performing this step, any of which may be used. See, e.g., P. S. Farmer, Drug Design, Ariens, E. J., ed., Vol. 10, pp 119-143 (Academic Press, New York, 1980); U.S. Pat. No. 5,331,573; U.S. Pat. No. 5,500,807; C. Verlinde, Structure, 2:577-587 (1994); and I. D. Kuntz, Science, 257:1078-1082 (1992). The model building techniques and computer evaluation systems described herein are not a limitation on the present invention.

Thus, using these computer evaluation systems, a large number of compounds may be quickly and easily examined and expensive and lengthy biochemical testing avoided. Moreover, the need for actual synthesis of many compounds is effectively eliminated.

Once identified by the modeling techniques, the protease inhibitor may be tested for bioactivity using standard techniques. For example, structure of the invention may be used in binding assays using conventional formats to screen inhibitors. Suitable assays for use herein include, but are not limited to, the enzyme-linked immunosorbent assay (ELISA), or a fluoresence quench assay. See, for example, the cathepsin K activity assay of Example 2 below. Other assay formats may be used; these assay formats are not a limitation on the present invention.

In another aspect, the protease structure of the invention permit the design and identification of synthetic compounds and/or other molecules which have a shape complimentary to the conformation of the protease active site of the invention. Using known computer systems, the coordinates of the protease structure of the invention may be provided in machine readable form, the test compounds designed and/or screened and their conformations superimposed on the structure of the protease of the invention. Subsequently, suitable candidates identified as above may be screened for the desired protease inhibitory bioactivity, stability, and the like.

Once identified and screened for biological activity, these inhibitors may be used therapeutically or prophylactically to block cathepsin K activity.

The following examples illustrate various aspects of this invention. These examples do not limit the scope of this invention which is defined by the appended claims.

EXAMPLE 1 Analysis of the Structure of Cathepsin K

A. Expression, Purification and Crystalization

Cathepsin K (see FIG. 1) was expressed and purified as described in Bossard, M. J., et al., J. BioL Chem. 271, 12517-12524 (1996).

Crystals of cathepsin K were grown by vapor diffusion in hanging drops from a solution of 30% PEG 8000, 0.1 M Na+/K+phosphate at pH 4.5 containing 0.2M Li₂SO₄. Crystals of the complex are tetragonal, space group P4₃2₁2, with cell constants of a=57.7 Angstroms and c=131. 1 Angstroms. The crystals contain one molecule in the asymmetric unit and contain 36% solvent with a V_(m) value of 2.3 Å³/Dalton. The structure was determined by molecular replacement using X-PLOR [Brunger, A.T., et al., Science, 235,458-460 (1987)]. The starting model consisted of the protein atoms from the cathepsin K E-64 complex structure described herein.

B. Model Building and Refinement

Using the three-dimensional electron density map obtained from above, the polypeptide chain of the cathepsin K can be traced without ambiguity. All 215 residues with side chains were built using the 3-D computer graphics program FRODO [Jones, T. A., J. Appl. Crystallogr., 11, 268-272 (1978)]. Each of these 215 amino acids residues was manually positioned in its electron density, allowing for a unique position for each atom in cathepsin K in which each position is defined by a unique set of atomic coordinates (X,Y,Z) as shown in Table I. Starting with these atomic coordinates, a diffraction pattern was calculated and compared to the experimental data. The difference between the calculated and experimentally determined diffraction patterns was monitored by the value of R_(c). The refinement (using X-PLOR) of the structural model necessitates adjustments of atomic positions to minimize the R-factor, where a value of below 20% is typical for a good quality protein structure and a value of higher than 25% usually indicates the need of further refinement.

EXAMPLE 2 Assays

Determination of cathepsin K proteolytic catalytic activity

All assays for cathepsin K were carried out with human recombinant enzyme. Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically Cbz-Phe-Arg-AMC, and were determined in 100 mM Na acetate at pH 5.5 containing 20 mM cysteine and 5 mM EDTA. Stock substrate solutions were prepared at concentrations of 10 or 20 mM in DMSO with 20 uM final substrate concentration in the assays. All assays contained 10% DMSO. Independent experiments found that this level of DMSO had no effect on enzyme activity or kinetic constants. All assays were conducted at ambient temperature. Product fluorescence (excitation at 360 nM; emission at 460 nM) was monitored with a Perceptive Biosystems Cytofluor II fluorescent plate reader. Product progress curves were generated over 20 to 30 minutes following formation of AMC product.

Inhibition studies

Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solutions of inhibitor and substrate. Data analysis was conducted according to one of two procedures depending on the appearance of the progress curves in the presence of inhibitors. For those compounds whose progress curves were linear, apparent inhibition constants (K_(i,app)) were calculated according to equation 1 (Brandt et al., Biochemistry, 1989, 28, 140):

ν=V_(m)A/[K_(a)(1+I/K_(i,app))+A]  (1)

where ν is the velocity of the reaction with maximal velocity V_(m), A is the concentration of substrate with Michaelis constant of K_(a), and I is the concentration of inhibitor.

For those compounds whose progress curves showed downward curvature characteristic of time-dependent inhibition, the data from individual sets was analyzed to give kobs according to equation 2:

[AMC]=ν_(ss)t+(ν₀−ν_(ss))[1−exp (−k_(obs)t)]/k_(obs)  (2)

where [AMC] is the concentration of product formed over time t, ν₀ is the initial reaction velocity and vss is the final steady state rate. Values for kobs were then analyzed as a linear function of inhibitor concentration to generate an apparent second order rate constant (k_(obs)/inhibitor concentration or k_(obs)/[I]) describing the time-dependent inhibition. A complete discussion of this kinetic treatment has been fully described (Morrison et al., Adv. Enzymol. Relat. Areas Mol Biol, 1988, 61, 201).

This assay measures the affinity of inhibitors to cathepsin K. One skilled in the art would consider any compound exhibiting a K_(i) value of less than 50 micromolar to be a potential lead compound for further research. Preferably, the compounds used in the method of the present invention have a K_(i) value of less than 1 micromolar. Most preferably, said compounds have a K_(i) value of less than 100 nanomolar.

Human Osteoclast Resorption Assay

Aliquots of osteoclastoma-derived cell suspensions were removed from liquid nitrogen storage, warmed rapidly at 37° C. and washed ×1 in RPMI-1640 medium by centrifugation (1000 rpm, 5 min at 4° C.). The medium was aspirated and replaced with murine anti-HLA-DR antibody, diluted 1:3 in RPMI-1640 medium, and incubated for 30 min on ice The cell suspension was mixed frequently.

The cells were washed ×2 with cold RPMI-1640 by centrifugation (1000 rpm, 5 min at 4° C.) and then transferred to a sterile 15 mL centrifuge tube. The number of mononuclear cells were enumerated in an improved Neubauer counting chamber.

Sufficient magnetic beads (5/mononuclear cell), coated with goat anti-mouse IgG, were removed from their stock bottle and placed into 5 mL of fresh medium (this washes away the toxic azide preservative). The medium was removed by immobilizing the beads on a magnet and is replaced with fresh medium.

The beads were mixed with the cells and the suspension was incubated for 30 min on ice. The suspension was mixed frequently. The bead-coated cells were immobilized on a magnet and the remaining cells (osteoclast-rich fraction) were decanted into a sterile 50 mL centrifuge tube. Fresh medium was added to the bead-coated cells to dislodge any trapped osteoclasts. This wash process was repeated ×10. The bead-coated cells were discarded.

The osteoclasts were enumerated in a counting chamber, using a large-bore disposable plastic Pasteur pipette to charge the chamber with the sample. The cells were pelleted by centrifugation and the density of osteoclasts adjusted to 1.5×10⁴/mL in EMEM medium, supplemented with 10% fetal calf serum and 1.7g/liter of sodium bicarbonate. 3 mL aliquots of the cell suspension (per treatment) were decanted into 15 mL centrifuge tubes. These cells were pelleted by centrifugation. To each tube 3 mL of the appropriate treatment was added (diluted to 50 uM in the EMEM medium). Also included were appropriate vehicle controls, a positive control (87MEM1 diluted to 100 ug/niL) and an isotype control (IgG2a diluted to 100 ug/mL). The tubes were incubate at 37° C. for 30 min. 0.5 mL aliquots of the cells were seeded onto sterile dentine slices in a 48- well plate and incubated at 37° C. for 2 h. Each treatment was screened in quadruplicate. The slices were washed in six changes of warm PBS (10 mL/well in a 6-well plate) and then placed into fresh treatment or control and incubated at 37° C. for 48 h. The slices were then washed in phosphate buffered saline and fixed in 2% glutaraldehyde (in 0.2M sodium cacodylate) for 5 min., following which they were washed in water and incubated in buffer for 5 min at 37° C. The slices were then washed in cold water and incubated in cold acetate buffer/fast red garnet for 5 min at 4° C. Excess buffer was aspirated, and the slices were air dried following a wash in water.

The TRAP positive osteoclasts were enumerated by bright-field microscopy and were then removed from the surface of the dentine by sonication. Pit volumes were determined using the Nikon/Lasertec ILM21W confocal microscope.

EXAMPLE 3 Method of Detecting Inhibitors

The three dimensional atomic structure can be readily used as a template for selecting potent inhibitors. Various computer programs and databases are available for the purpose. A good inhibitor should at least have excellent steric and electrostatic complementarity to the target, a fair amount of hydrophobic surface buried and sufficient conformational rigidity to minimize entropy loss upon binding. The approach usually comprises several steps:

1) Define a region to target. the active site cavity of cathepsin K can be selected, but any place that is essential to the protease activity could become a potential target. Since the crystal structure has been determined, the spatial and chemical properties of the target region is known.

2) Docking a small molecule onto the target. Many methods can be used to archive this. Computer databases of three-dimensional structures are available for screening millions of small molecular compounds. A negative image of these compounds can be calculated and used to match the shape of the target cavity. The profiles of hydrogen bond donor-acceptor and lipophilic points of these compounds can also be used to complement those of the target. Anyone skilled in the art would be able to identify many small molecules or fragments as hits.

3) Linking and extending recognition fragments. Using the hits identified by above procedure, one can incorporate different functional groups or small molecules into a single, larger molecule. The resulting molecule is likely to be more potent and have higher specificity. It is also possible to try to improve the “seed” inhibitor by adding more atoms or fragments that will interact with the target protein. The originally defined target region can be readily expanded to allow further necessary extension.

A limited number of promising compounds can be selected through the process. They can then be synthesized and assayed for their inhibitory properties.

The success rate can sometimes be as high as 20%, and it may still be higher with the rapid progresses in computing methods.

EXAMPLE 4 Crystallization of Enzyme with Inhibitors

A. Preparation of Inhibitors

Compound 1. Preparation of 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenvlmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone

a) 3-hydroxy-4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-pyrrolidinecarboxylic acid 1,1dimethylethyl ester

To a solution of 3-hydroxy-4-amino-1-pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester (202 mg, 1.14 mmol) in CH₂CI₂ (5 mL) was added CBZ-leucine (302.9 mg, 1.14 mmol), HOBT (154 mg, 1.14 mmol) and EDC (262.2 mg, 1.37 mmol). The reaction was allowed to stir until complete by TLC analysis whereupon it was diluted with EtOAc and washed sequentially with pH 4 buffer, sat. K₂CO₃, water and brine. The organic layer was dried (MgSO4), filtered and concentrated. Column chromatography of the residue (3:1 EtOAc:hexanes) gave 325 mg of the title compound: MS (ES+) 450.3 (MH+), 472.2 (M+Na).

b) 3-hydroxy-4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-pyrrolidine hydrochloride

To a solution of the carbamate (310 mg, 0.69 mmol) in dry EtOAc (5.0 mL) was bubbled HCl gas for approximately 5 minutes. The reaction was stirred until TLC analysis indicated the complete consumption of the starting material. The reaction was then concentrated in vacuo to give 249 mg of the title compound: MS (ES+) 350.3 (MH+)

c) 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinol

To a solution of the amine hydrochloride from the previous step (249 mg, 0.64 mmol) in CH₂Cl₂ (10 mL) was added CBZ-leucine (170.4 mg, 0.64 mmol), HOBT (86.5 mg, 0.64 mmol), NMM (300 uL) and EDC (147.2 mg, 0.77 mmol). The reaction was allowed to stir at room temperature for 2 hours whereupon it was diluted with ethyl acetate and worked up as described previously. Column chromatography of the residue (3:1EtOAc:hexanes) gave 104 mg of the title compound: MS (ES+) 597.1 (MH+), 619.1 (M+Na).

d) 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone

To a 0° C. solution of the alcohol (100 mg, 0.17 mmol) in acetone (5.0 mL) was added Jone's reagent dropwise until the brown color persisted. The reaction was allowed to warm to room temperature and stirred approximately 48 hours whereupon it was quenched with isopropanol, diluted with EtOAc and washed sequentially with sat. K₂CO₃, water and brine. The organic layer was dried (MgSO₄), filtered and concentrated. Column chromatography of the residue (3:1 EtOAc:hexanes) gave 31 mg of the title compound: MS (ES+) 595.1 (MH+), 617.0 (M+Na).

Compound 2. Preparation of 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-N[N-(methyl)-L-leucyl)]3-pyrrolidinone

a) 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(tert-butoxy)carbonyl]-N-(methyl)-L-leucyl]-3-pyrrolidinol

To a solution of 3-hydroxy-4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-pyrrolidine (350 mg) was added N-BOC-N-methyl-leucine (222 mg, 0.0.91 mmol), HOBT(122.5 mg, 0.91 mmol), EDC (208.6 mg, 1.08 mmol) and N-methyl morpholine (0.3 mL, 2.72 mmol). The reaction was stirred at room temperature until complete by TLC analysis. Workup and column chromatography (1: 1 Hex:EtOAc ) gave 480 mg of the title compound which was used in the following reaction: MS (ES+) 477.4, 577.4 (MH+), 599.4 (M+Na).

b) 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(tert-butoxy)carbonyl]-N-(methyl)-L-leucyl]-3-pyrrolidinone

To a −78° C. solution of oxalyl chloride (0.11 mL, 1.23 mmol) in CH₂C₂ was added DMSO (0.17 mL, 2.46 mmol) dropwise. The reaction was allowed to stir at −78° C. for 20 minutes whereupon a solution of the alcohol (474 mg, 0.82 mmol) in CH₂Cl₂ was added dropwise. The reaction was stirred at −78° C. for 30 minutes whereupon triethylamine (0.57 mL) was added in a single portion and allowed to warm to room temperature. Workup and column chromatography (2:1 hexanes:ethyl acetate) gave 247 mg of the title compound: MS (ES+) 475, 575 (M+H), 597 (M+Na).

c) 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-N[N-(methyl)-L-leucyl)]-3-pyrrolidinone hydrochloride

To a room temperature solution EtOAc/HCl was added the carbamate. The reaction was stirred until complete by TLC analysis. Concentration gave the title compound: MS (ES+) 475 (M+H, 100%).

Compound 3. Preparation of 4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethox)carbonyl]-L-leucyl]-3-pyrrolidinone

a) 3-hydroxy-4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-pyrrolidinecarboxylic acid 1,1dimethylethyl ester

3-hydroxy4-amino-1-pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester was coupled with iso-nicotinoyloxycarbonyl leucine in a similar manner as that described above to give 8.5 grams of the title compound: MS (ES+) 451 (MH+, 100%).

b) 3-hydroxy-4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-pyrrolidine hydrochloride

The carbamate from the previous step was deprotected with EtOAc/HCI to give 8.4 grams of the title compound after concentration: MS (ES+)351 (MH+, 100%).

c) 4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinol

To a solution of CBZ leucinal (155 mg) in CH₂Cl₂ was added triethylamine (0.09 mL) and the amine hydrochloride (200 mg, 0.52 mmol) from the previous step. The reaction was stirred at room temperature for 2 hours whereupon the majority of the solvent was removed in vacuo. The mixture was redissolved in CH₂Cl₂ and sodium triacetoxyborohydride was added. The reaction was stirred at room temperature for 4 hours. Workup and column chromatography (5% methanol/chloroform) gave 200.5 mg of the title compound: MS(ES+) 583 (MH+, 100%).

d) 4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone To a DMSO (2 mL) solution of the alcohol (50 mg, 0.09 mmol) from the previous step was added triethylamine (0.07 mL, 0.52 mmol) and pyridine/sulfur trioxide complex (41 mg, 0.26 mmol). The reaction was maintained at room temperature until complete by TLC analysis. Workup and chromatography (5% methanol/chloroform) gave 37 mg of the title compound: MS (ES+) 582 (MH+, 100%).

Compound 4. Preparation of (3S)-3-[(N-benzyloxycarbonyl)-L-leucinyl]-amino-1-(1-propoxy)-5-methyl-2-hexanone

(3S)-3-[(N-benzyloxycarbonyl)-L-leucinyl]amino-1-diazo-5-methyl-2-hexanone (150 mg, 0.37 mmol) was dissolved in 1-propanol (2.5 ml), then rhodium acetate (2 mg) was added and the reaction was stirred at RT for 2h. The reaction mixture was chromatographed (silica gel, 20% EtOAc/hexanes) to yield the title compound as a white solid (59 mg, 37%). MS(ES) M+H⁺=435, M+NH₄ ⁺=452, 2M+H⁺=869.6.

Compound 5. Preparation of bis-(Cbz-leucinyl)-1,3-diamino-propan-2-one Cbz-leucine (500 mg, 1.88 mmol), EDCI (558 mg, 1.88 mmol) was dissolved in DMF (4.0 ml) with 1,3-diamino-propan-2-ol (85 mg, 0.94 mmol) and Hunig's base (0.3 ml, 1.88 mmol) and was stirred at RT overnight. The reaction was diluted with EtOAc (20 ml) and was extracted with water (2×20 ml). The combined organics were dried with magnesium sulfate, filtered, concentrated in vacuo. The intermediate was then dissolved in acetone (4.0 ml) and Jones reagent (2.0 ml, 1.5 M) was added dropwise and the reaction was stirred at RT overnight. The excess Jones reagent was then quenched with isopropanol (1.0 ml), then the reaction was diluted with EtOAc (20 ml) and was extracted with water (2×20 ml) to remove the inorganic salts. The combined organics were dried with magnesium sulfate, filtered, concentrated, and chromatographed (silica gel, 2-5% MeOH/methylene chloride) to give the title compound as a white solid (410 mg, 75%). MS(ES) M+H⁺=583, M+Na⁺=605.

Compound 6. Preparation of 2-[N-(3-benzyloxybenzoyl)-2′-[N′-(N-benzyloxycarbonyl]-L-leucinyl)]carbohydrazide

a) methyl 3-benzyloxybenzoate

To a suspension of NaH (0.395 g, 9.87 mmol, 60% in mineral oil) in DMF (20 mL) was added methyl 3-hydroxybenzoate (1.0 g, 6.58 mmol). After stirring for 15 min at room temperature, benzyl bromide (1.1 g, 6.58 mmol) was added. After stirring at room temperature for 3h, the solution was partitioned between ethyl acetate and water. The organic layer was washed with water (2×75 mL), saturated aqueous sodium bicarbonate, and brine, then dried (MgSO₄), filtered and concentrated to yield an off-white solid (1.013 g, 4.2 mmol). ¹H NMR (400 MHz, CDCl₃) d 7.67 (m, 2H), 7.48-7.34 (m. 6H), 7.19 (m, 1H), 5.12 (s, 2H), 3.95 (s, 3H).

b) 3-benzyloxybenzoic acid

To a solution of the compound of Example 6(a) (0.400 g, 1.65 mmol) in THF (2 mL) and water (2 mL) was added lithium hydroxide monohydrate (0.076 g, 1.82 mmol). After stirring at reflux for 5 h, the solution was partitioned between ethyl acetate and 3N HCl. The organic layer was washed with brine, dried (MgSO₄), filtered and concentrated to yield a white solid (0.355 g, 1.56 mmol). ¹H NMR (400 MHz, CD₃0D) d 7.58 (m, 2H), 7.36-7.24 (m. 6H), 7.10 (m, lH), 5.04 (s, 2H).

c) 2-[N-(3-benzyloxybenzoyl)]-2′-[N′-(N-benzyloxycarbonyl-L-leucinyl)]carbohydrazide

Following the procedure of Example A, below, except substituting 3-benzyloxybenzoic acid for N-acetyl-L-leucine and 2-[N-(N-benzyloxycarbonyl-L-leucinyl)]carbohydrazide for 2-[N-(N-benzyloxycarbonyl-L-alanyl)]carbohydrazide, the title compound was prepared as a white solid (0.062 g, 25%). MS(ESI): 548.1 (M+H)⁺.

EXAMPLE A

Preparation of 2-[N-(N-acetyl-L-leucinyl)-]2′-[N′-(N-benzyloxycarbonyl-L-alanyl)]carbohydrazide

To a stirring solution of 2-[N-(N-benzyloxycarbonyl-L-alanyl)]carbohydrazide (0.15 g, 0.508 mmol) in DMF (2 mL) was added N-acetyl-L-leucine (0.092 g, 0.534 mmol), 1-hydroxybenzotriazole (0.014 g, 0.102 mmol), and 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (0.102 g, 0.534 mmol).

After stirring at room temperature for 16 h, the solution was diluted with ethyl acetate, washed successively with water, saturated aqueous sodium bicarbonate, and brine. The organic layer was dried (MgS04), filtered and concentrated. The residue was purified by column chromatography (silica gel, methanol/dichloromethane) to yield the title compound as a white solid (0.028 g, 12%). MS(ESI): 451.1 (M+H)+.

Compound 7. Preparation of (1S)-N-[2-[(1-benzyloxycarbonylamino)-3-methylbutyl]thiazol4-ylcarbonyl]-N′-(N-benzyloxycarbonyl-L-leucinyl)hydrazide

a) N-tert-butoxycarbonyl-(L)-leucinamide

To a solution of N-tert-butoxycarbonyl-(L)-leucine (7.0g, 28. i mmol ) in dry THF (100 mL) at −40° C. was added isobutylchloroformate (3.8g, 28.1 mmol) and N-methylmorphiline (6.0, 59mmol). After 15 minutes of stirring, ammonia was bubbled through the mixture for an additional 15 minutes, then warmed to room temperature and allowed to stir for 2 hours. Mixture filtered and filtrate concentrated in vacuo to yield title compound as a white solid (6.5, 28.1 mmol). ¹HNMR (400MHz, CDCl₃) d 6.38 (br s, 1H), 5.79 (br s, 1H), 5.04 (br d, 1H), 4.13 (m, 1H), 1.71-1.49 (m, 3H), 1.39 (s, 9H), 0.92 (dd, 6H).

b) N-tert-butoxycarbonyl-(L)-leucinethioamide

To a stirring solution of the compound of Example 7(a) (6.5, 28.0 mmol) in dry THF was added Lawesson's reagent (6.8g, 16.9 mmol) and the mixture was stirred at room temperature under argon overnight. The solvent was evaporated and the residue chromatographed (silica gel, 12% ethyl acetate/hexane) to give the title compound as a white solid (5.4g, 77%). ′HNMR (400MHz, CDCl₃) d 8.54 (br s, 1H), 7.97 (br s, 1H), 5.28 (br d, 1H), 4.52 (m, IH), 1.72-1.58 (m, 3H), 1.40 (s, 9H), 92 (m, 6H).

c) (1S)-1-(tert-butoxycarbonyl)amino-1-(4-carboethoxythiazol-2-yl)-3-methylbutane

The compound of Example 7(b) (5.4g, 21.7 mmol) was stirred in dry acetone (100 mL) under argon at −10° C. Ethylbromopyruvate (4.7g, 23.9mmol) was added and stirred for 1 h at −10° C. The solution was poured into a well stirred mixture of chloroform and water and then into saturated sodium bicarbonate solution. The organic phase was separated and the aqueous layer extracted with chloroform. The combined organic extracts were dried over MgSO₄, filtered and concentrated to an oil. The oily residue was treated with TFAA (5.0 g, 23.9mmol) and pyridine (3.8g, 47.8mmol) in dichloromethane for 1 h at −20° C. Excess solvent was removed in vacuo and the residue was dissolved in dichloromethane. The solution was washed with saturated aqueous sodium bicarbonate and 1.0N KHSO₄ until pH 7. The solution was dried over magnesium sulfate, filtered and concentrated to an oil which was chromatographed (silica gel, 7.5% ethyl acetate/hexane) to give the title compound as a tan solid (4.5g, 61%). ¹HNMR (400 MHz, CDCl₃) d 7.98 (s, 1H), 5.04 (br d, 1H), 4.95 (m, 1H), 4.31 (q, 2H), 1.88 (m, 1H), 1.63 (m, 2H), 1.40 (s, 9H),1.32 (t, 3H), 0.85 (dd, 6H).

d) (1 S)-1-(Benzyloxycarbonyl)amino-1-(4-carboethoxythiazol-2-yl)-3-methylbutane

The compound of Example 7(c) (0.250 g, 0.731 mmol) was dissolved in TFA (2 mL) and stirred at room temperature for 15 minutes when diluted with methanol and concentrated in vacuo. The residue was dissolved in methylene chloride and treated with triethylamine (0.739 g, 7.3 mmol) followed by benzyl chloroformate (1 .2g, 7.31 mmol). The solution stirred at room temperature for 2 h when partition between ethyl acetate/water. The organic layer was washed with brine, collected, dried (MgSO₄) and concentrated to a residue that was chromatographed (silica gel, 15% ethyl acetate/hexane) to give the title compound as an oil (0.198 g, 72%). ¹HNMR (400MHz, CDCl₃) d 8.01 (s, 1H), 7.32 (m, 5H), 5.51 (br d, 1H), 5.14 (m, 1H), 5.10 (s, 2H), 4.37 (q, 2H), 1.93 (m, 1H), 1.81-1.67 (m, 2H), 1.39 (t, 3H (m, 6H).

e) (1 S)-N-[2-[(1-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-N′-(N-benzyloxycarbonyl-L-leucinyl)hydrazide

Following the procedure of Example B(a)-(d), below, except substituting (1S)-1-(Benzyloxycarbonyl)arnino-1-(4-carboethoxythiazol-2-yl)-3-methylbutane for (1S)-1-benzyloxycarbonylamino-1-(2-carboethoxythiazol4-yl)-3-methylbutane in step (c), the title compound was prepared. MS (MH⁺): 610.0

EXAMPLE B

Preparation of (1S,2′R)-N-4-[[(1-benzyloxycarbonyl)amino]-3-methylbutyl]thiazol-2-ylcarbonyl-N′-2′-(benzyloxycarbonyl)amino4′-methylpentanoylhydrazide

a) N-benzyloxycarbonyl-L-leucinyl bromomethyl ketone

1-methyl-3-nitro-1-nitrosoguanidine (6.65 g, 45.2 mmol) in ether (225 mL) is cooled to 0° C. 40% sodium hydroxide is added slowly and the diazomethane is allowed to collect in the ether solution for 30 minutes at 0° C. The ether solution is then decanted and left at 0° C.

N-Cbz-L-leucine (2.10 g, 7.6 mmol) was dissolved in THF (10 mL), cooled to −40° C., and 4-methylmorpholine (0.77 g, 7.6 mmol, 0.83 mL) was added, followed by dropwise addition of isobutyl chloroformate (1.04 g, 7.6 mmol, 0.98 mL). After 15 min, the solution was filtered into the previously prepared 0° C. solution of ethereal diazomethane. The resulting solution was allowed to stand at 0° C. for 23 h. HBr (30% in acetic acid) (45.2 mmol, 9 mL) was added and the resulting solution was stirred at 0° C. for 5 min, then washed sequentially with 0.1 N HCl, saturated aqueous NaHCO3 and saturated brine, then dried (MgSO4), filtered and concentrated to give the title compound as a colorless oil (2.43 g, 94%).

b) (1S)-1-benzyloxycarbonylamino-1-(2-carboethoxythiazol-4-yl)-3-methylbutane A solution of the compound of Example B(a) (1.57 g, 4.58 mmol) and ethyl thiooxamate (0.61 g, 4.58 mmol) in ethanol (10 mL) was heated at reflux for 4 h. The solution was then cooled, concentrated and the residue was purified by flash chromatography on 230-400 mesh silica gel, eluting with 1:4 ethyl acetate/hexanes, to give the title compound as a yellow oil (1.0 g, 58%). 1H NMR (400 MHz, CDC13) d 7.41 (s, 1H), 7.34-7.31 (m, 5H), 5.40 (d, 1H), 5.10 (d, 1H), 5.05 (d, 1H), 4.98 (q, 1H), 4.48 (q, 2H), 1.80-1.76 (m, 2H), 1.57-1.53 (m, 1H), 1.44 (t, 3H), 0.95 (d, 3H), 0.93 (d, 3H).

c) (1S)-1-benzyloxycarbonylamino-1-(2-hydrazinocarbonylthiazol-4-yl)-3-methylbutane

A solution of the compound of Example B(b) (0.30 g, 0.8 mmol) and hydrazine hydrate (0.40 g, 8.0 mmol, 0.39 mL) in ethanol (8 mL) was allowed to stir at room temperature for 2 h. The solution was then concentrated to yield the title compound as a white foam (0.28 g, 98%). 1H NMR (400 MHz, CDC13) d 8.29 (s, 1H), 7.37-7.35 (m, 5H), 5.18 (d, 1H), 5.09 (dd, 2H), 4.95 (q, 1H), 4.07 (d, 2H), 1.71 (t, 2H), 1.55 (m, 1H), 0.96 (d, 3H), 0.94 (d, 3H).

d) (1S,2′R)-N-4-[[(1-benzyloxycarbonyl)amino]-3-methylbutyl]thiazol-2-ylcarbonyl-N′-2′-(benzyloxycarbonyl)amino-4′-methylpentanoylhydrazide

A solution of the compound of Example B(c) (100 mg, 0.28 mmol), N-Cbz-L-leucine (80.5 mg, 0.30 mmol), 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (58.2 mg, 0.30 mmol) and 1-hydroxybenzotriazole (7.5 mg, 0.06 mmol) in DMF (0.6 mmol) was allowed to stir at room temperature for 18 h. The solution was diluted with ethyl acetate and washed successively with water, 0.1 N HCl, saturated aqueous NaHCO3 and saturated brine, then dried (MgSO4), filtered and concentrated. The residue was purified by flash chromatography on 230-400 mesh silica gel, eluting with 1:1 ethyl acetate/hexanes, to provide the title compound as a white solid (111.4 mg, 66%). mp 110-112° C.

Compound 8. Preparation of 2.2′-N.N′-bis-benzyloxycarbonyl-L-leucinylcarbohydrazide

To a stirring solution of N-Cbz-L-leucine (Chemical Dynamics Corp.) (2.94 g, 11.1 mmol) in 22 mL of DMF was added carbohydrazide (0.5 g, 5.6 mmol), 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (2.13 g, 11.1 mmol) and 1-hydroxybenzotriazole (0.3 g, 2.2 mmol). After stirring at room temperature for 22 h, the solution was poured into 500 mL of water. The precipitate was collected by vacuum filtration and washed with water (4×150 mL) and dichloromethane (4×150 mL), then dried under vacuum to provide the title compound as a white solid (1.49 g, 46%). MS(ESI): 607.1 (M+Na)⁺.

Compound 9. Preparation of 1-N-(N-imidazole acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-one

a) 1-N-(N-imidazole acetyl-leucinyl)-amino-3-N-(4-phenoxy phenyl sulfonyl)-amino-propan-2-one

Following the procedure of Example C(a)-(d), below, substituting “imidazole acetic acid” for “4-pyridyl acetic acid”, the title compound was prepared: MS(ES) M+H⁺542.

EXAMPLE C

Preparation of 1-N-(N-Cbz-leucinyl)-amino-3-N-(2-pyridyl-sulfonyl)-amino-propan-2-one

a) 1-N-(N-Cbz-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-1 0 propan-2-ol 1,3-Diamino propan-2-ol (6.75 g, 75 mmol) was dissolved in DMF (100 ml) and Cbz-leucine (20g, 75.5 mmol), HOBT-hydrate (1 Ig, 81.5 mmol), and EDCI (15.5 g, 81.2 mmol) were added. The reaction was stirred overnight at RT. A portion of the reaction mixture (30 ml) was concentrated in vacuo, then ether (50 15 ml) and MeOH (30 ml) were added. A 1N solution of hydrochloric acid in ether was added (1 M, 30 ml) and a white gum formed, which was washed several times with ether. MeOH-acetone were added and heated until the gum became a white solid. The white solid was dissolved in DMF (25 ml) and DIEA (5 ml), then 4-phenoxy phenyl sulfonyl chloride was added. The reaction was stirred for 2h, concentrated in vacuo, then chromatographed (silica gel, 1:1 EtOAc: hexanes) to provide the desired product as a white solid.

b) Leucinyl-amino-3-N-(4-phenoxy phenyl sulfonyl)-amino-propan-2-ol 1-N-(Cbz-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-ol (1.0g, 1.8 mmol) was dissolved in EtOH (30 ml), then 10% Pd/C (0.22g) was added followed by 6N hydrochloric acid (2.5 ml), and the reaction was stirred under a balloon of hydrogen gas for 4h at RT. The reaction mixture was filtered, concentrated, and azeotroped with toluene to provide a white glass which was used in the next reaction without further purification.

c) 1-N-(N-4-pyridyl acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-ol Leucinyl-amino-3-N-(4-phenoxy phenyl sulfonyl)-amino-propan-2-ol (0.36 g, 0.76 mmol) was dissolved in DMF (5 ml), then NMM (0.45 ml, 4 mmol) was added followed by 4-pyridyl acetic acid (0. 13g, 0.75 mmol) and HBTU (0.29g, 0.76 mmol) and the reaction was stirred at RT overnight. The reaction mixture was concentrated in vacuo, then chromatographed (silica gel, 5%MeOH: methylene chloride) to provide the desired product as a white solid (90 mg, MS(ES): M+H⁺=555.

d) 1-N-(N-4-pyridyl acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-one 1-N-(N4-pyridyl-acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-ol (45 mg, 0.08 mmol) was dissolved in acetone (5ml), then 1N hydrochloric acid (2 ml) was added. The reaction was concentrated in vacuo, then redissolved in acetone. Jones reagent (1.5 M, several drops) was added and the reaction mixture was stirred for 6h at RT. Isopropanol (0.5 ml) was added and the reaction mixture was concentrated in vacuo. The reaction was diluted with pH 7 buffer and then was extracted with EtOAc, dried with magnesium sulfate, filtered, concentrated in vacuo, then chromatographed (silica gel, 5% MeOH-methylene chloride) to give the desired product as a white solid (27 mg, 50%): MS(ES): M+H⁺=553.

B. Crystallization of the protein and protein-inhibitor complexes Human cathepsin K was expressed in baculovirus cells for the first eight of the nine inhibitors described below. Conditioned media containing expressed pro-cathepsin K was loaded directly onto an S-Sepharose column pre-equilibrated with 25 mM phosphate buffer at pH 8. The column was eluted with a NaCl gradient. Fractions containing pro-cathepsin K were pooled, concentrated to 2.5 mg/ml and activated to mature cathepsin K in 50 mM sodium acetate buffer pH 4.0 containing 20 mM L-cysteine and 1% mature cathepsin K as seed. The activation was monitored using CBZ-Phe-Arg-AMC,as fluorogenic substrate and by SDS-PAGE. When the increasing specific activity reached a plateau (ca. 15 μmol/min/mg), the reaction was stopped by the addition of inhibitor. The inhibited mature cathepsin K was concentrated and dialyzed against 20 mM MES, 50 mM NaCl, 2 mM L-cysteine, pH 6.

Protein preparation for cathepsin K complex with 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-N[N-(methyl)-L-leucyl)]-3-pyrrolidinone (only) Human cathepsin K was expressed in E. coli. The cell pellet from 1 L of bacterial culture weighing 2.35 gm. was washed with 50 mL of 50 mM Tris/HCl, 5 mM EDTA, 150 mM NaCl, pH 8.0. After centrifugation at 13,000×g for 15 mins, the washed pellet was resuspended into 25 mL of the same buffer prepared at 4° C. and lysed by passage twice through a cell disruptor (Avestin) at 10,000 psi. The lysate was centrifuged as above, the supernatant decanted and the pellet suspended in 25 mL 50 mM Tris/HCl, 10 mM DTT, 5 mM EDTA, 150 mM NaCl, pH 8.0 containing either 8 M urea or 6 M guanidine HCl. After stirring at 4° C. for 30 mins, insoluble cellular debris was removed by centrifugation at 23,000×g for 30 mins and the supernatant clarified by filtration (0.45 um, Millipore).

Varying amounts of the proenzyme form of cathepsin K were refolded by quick dilution into stirring, N₂ (g) sparged 50 mM Tris/HCl, 5 mM EDTA, 10 mM reduced and 1 mM oxidized glutathione, 0.7 M L-arginine pH 8.0 and stirred overnight at 4° C. After concentration to ca. 1 mg/mL using a stirred cell fitted with a YM-10 membrane (Amicon), the sample was clarified by centrifugation and filtration then dialyzed against 25 mM Na₂PO₄, 1.0 M NaCl, pH 7.0. The dialysate was applied at a LFR=23 cm/hr to a 2.6×90 cm column of Superdex 75 (Pharmacia) pre-equilibrated in 25 mM Na₂PO₄, 1.0 M NaCl, pH 7.0. The cathepsin K proenzyme was pooled based upon purity as observed on a reduced, SDS-PAGE gel.

Crystals of mature activated cathepsin K complexed with inhibitor grew to a size of approximately 0.2 mm³ in about six days at 20° C. The concentration of inhibited cathepsin K used in the crystallization was approximately 8 mg./ml. The method of vapor diffusion in hanging drops was used to grow crystals from the solution of cathepsin K-inhibitor complex. The initial crystal structure to be determined was that of cathepsin K in complex with the cysteine protease inhibitor E64. Crystals of mature activated cathepsin K complexed with E-64 grew to a size of approximately 0.2 mm³ in six days at 20° C. The concentration of E-64-inhibited cathepsin K used in the crystallization was 8 mg/ml. Vapor diffusion was used in hanging drops from a solution of 10% PEG 8000, 0.1 M Na⁺/K⁺phosphate at pH 6.2 containing 0.2M NaCl. Crystals of the complex are orthorhombic, space group P2₁2₁2₁, with cell constants of a=38.4, =50.7, and c=104.9 Angstroms. This crystal form will be referred to as Form II. The crystals contain one molecule in the asymmetric unit and contain approximately 40% solvent with a Vm value of 2.1 A³/Dalton. X-ray diffraction data were measured from a single crystal using a Siemens two-dimensional position-sensitive detector on a Siemens rotating anode generate operating a 5 KW. The structure was determined by molecular replacement using X-PLOR. The starting model consisted of all atoms of the main chain of papain and those side chain atoms predicted to be homologous between the two proteins as determined from sequence alignment. The cross rotation function was calculated using x-ray diffraction data from 10 to 4 Å and a radius of integration of 32 Å. The highest peak was 6.0 σ. A translation search was carried out using data from 8 to 3.5 Angstroms resulting in the highest peak of 12.5. The resulting model gave an R_(c) factor of 0.488. This model was refined by rigid-body refinement, and the resulting phases were used to calculate Fourier maps with coefficients |F_(o)-F_(c)| and |2F_(o)-F_(c)|, into which the atomic model of cathepsin K was built using the molecular graphics program FRODO. Conventional positional refinement was used to refine the structure during model building. The structure was refined using X-PLOR. The electron density for E-64 was clear in the maps. The inhibitor was built into density and several additional cycles of map fitting and refinement were carried out to a final R_(c) of 0.191.

Crystallization of the complex of cathepsin K with 3(S)-3-[(N-benzyloxycarbonyl)-L-leucinyl]amino-5-methyl-1-(1-propoxy)-2-hexanone

Crystals of mature activated cathepsin K complexed with the inhibitor grew from a solution of 10% isopropanol, 0.1 M NaPO₄/citrate at pH 4.2. Crystals of the complex are tetragonal, space group P4₃2₁2, with cell constants of a=57.6 Å, and c=131.2 Å. This crystal form will be referred to as Form III. Diffraction data were collected as described above. The crystals contain one molecule in the asymmetric unit and contain 36% solvent with a V_(m) value of 2.3 Å³/Dalton. The structure was determined by molecular replacement using X-PLOR at 2.5 Angstroms resolution. The starting model consisted of all protein atoms of the orthorhombic form of cathepsin K-E64 structure. Molecular replacement was carried out as described above for the cathepsin K-E64 structure determination. The model was refined by rigid-body refinement using X-PLOR, and the resulting phases were used to calculate Fourier maps with coefficients |F_(o)-F_(c)| and |2F_(o)-F_(c)|, into which the atomic model of the inhibitor was built using the molecular graphics program FRODO. Conventional positional refinement was used to refine the structure during model building. The structure was refined using X-PLOR. Several cycles of map fitting and refinement were carried out to a final R_(c) of 0.245.

Crystallization of the complex of cathepsin K with 2-[N-(3-benzyloxybenzoyl)]-2′-[N′-(N-benzyloxycarbonyl-L-leucinyl)]carbohydrazide

Crystals of mature activated cathepsin K complexed with the inhibitor grew from a solution of 22.5% PEG 8000, 0.075 M sodium acetate at pH 4.5 containing 0.15 M Li₂SO₄. Crystals of the complex grew as Form III. Diffraction data were collected as described above. The structure was determined by rigid body refinement with X-PLOR utilizing the previous Form III protein model at 2.4 Angstroms resolution. Fourier maps with coefficients |F_(o)-F_(c)| and |2F_(o)-F_(c)| were used to fit the atomic model of the inhibitor using the molecular graphics program FRODO. Conventional positional refinement (X-PLOR) was used to refine the structure during model building. Several cycles of map fitting and refinement were carried out to a final R_(c) of 0.237.

Crystallization of the complex of cathepsin K with bis-(Cbz-leucinyl)-1.3-diamino-propan-2-one

Crystals of mature activated cathepsin K complexed with the inhibitor grew from a solution of 10% isopropanol, 0.1 M NaPO₄/citrate at pH 4.2. Crystals of the complex grow as Form III. Diffraction data were collected as described above. The structure was determined by rigid body refinement of the previous Form III protein model at 2.6 Angstroms resolution. Fourier maps with coefficients |F_(o)-F_(c)| and |2F_(o)-F_(c)| were used to fit the atomic model of the inhibitor using the molecular graphics program FRODO. Conventional positional refinement was used to refine the structure during model building. Several cycles of map fitting and refinement were carried out using X-PLOR to a final R_(c) of 0.210.

Crystallization of the complex of cathepsin K with 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-N[N-(methyl)-L-leucyl)]-3-pyrrolidinone

Crystals of mature activated cathepsin K complexed with the inhibitor grew from a solution 18% PEG 8000, 0.6 M sodium acetate at pH 4.5 containing 0.12 M Li₂SO₄. Crystals of the complex grow in Form III. Diffraction data were collected as described above. The structure was determined by rigid body refinement of the previous Form III protein model with X-PLOR at 2.4 Angstroms resolution. Fourier maps with coefficients |F_(o)-F_(c)| and |2F_(o)-F_(c)|, were used to the atomic model of the inhibitor using the molecular graphics program FRODO. Conventional positional refinement was used to refine the structure during model building using X-PLOR. Several cycles of map fitting and refinement were carried out to a final R_(c) of 0.218.

Crystallization of the complex of cathepsin K with (1S)-N-[2-[(1-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-N′-(N-benzyloxycarbonyl-L-leucinyl)hydrazide

Crystals of mature activated cathepsin K complexed with the inhibitor grew from a solution of 30% MPD, 0.1 M MES at pH 7.0 and 0. 1 M tris buffer at pH 7.0. Crystals of the complex are Form II. Diffraction data were collected as described above. The structure was determined by rigid body refinement of the previous Form II protein model with X-PLOR at 2.3 Angstroms resolution. Fourier maps with coefficients |F_(o)-F_(c)| and |2F_(o)-F_(c)|, were used to the atomic model of the inhibitor using the molecular graphics program FRODO. Conventional positional refinement was used to refine the structure during model building using X-PLOR. Several cycles of map fitting and refinement were carried out to a final R_(c) of 0.21 1.

Crystallization of the complex of cathepsin K with 2.2′-N.N′-bis-benzyloxycarbonyl-L-leucinylcarbohydrazide

Crystals of mature activated cathepsin K complexed with the inhibitor grew from a solution of 33% MPD, 0.1 M MES at pH 7. Crystals of the complex grow as Form II. Diffraction data were collected as described above. The structure was determined by rigid body refinement of the previous Form II protein model with X-PLOR at 2.2 Angstroms resolution. Fourier maps with coefficients |F_(o)-F_(c)| and |2F_(o)-F_(c)|, were used to the atomic model of the inhibitor using the molecular graphics program FRODO. Conventional positional refinement was used to refine the structure during model building using X-PLOR. Several cycles of map fitting and refinement were carried out to a final R_(c) of 0.208.

Crystallization of the complex of cathepsin K with 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone

Crystals of mature activated cathepsin K complexed with the inhibitor grew from a solution of 28% MPD, 0.1 M MES at pH 7.0 and 0.1 M tris buffer at pH 7.0. Crystals of the complex Form II. Diffraction data were collected as described above. The structure was determined by rigid body refinement of the previous Form II protein model with X-PLOR at 2.3 Angstroms resolution. Fourier maps with coefficients |F_(o)-F_(c)| and |2F_(o)-F_(c)|, were used to the atomic model of the inhibitor using the molecular graphics program FRODO. Conventional positional refinement was used to refine the structure during model building using X-PLOR. Several cycles of map fitting and refinement were carried out to a final R_(c) of 0.193.

Crystallization of the complex of cathepsin K with 4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone

Crystals of mature activated cathepsin K complexed with the inhibitor grew from a solution of 30% MPD, 0.1 M MES at pH 7.0 and 0.1 M tris buffer at pH 7.0. Crystals of the complex Form II. Diffraction data were collected as described above. The structure was determined by rigid body refinement of the previous Form II protein model with X-PLOR at 2.2 Angstroms resolution. Fourier maps with coefficients |F_(o)-F_(c)| and |2F_(o)-F_(c)|, were used to the atomic model of the inhibitor using the molecular graphics program FRODO. Conventional positional refinement was used to refine the structure during model building using X-PLOR. Several cycles of map fitting and refinement were carried out to a final R_(c) of 0.267.

Crystallization of the complex of cathepsin K with 1-N-(N-imidazole acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)-amino-propan-2-one

Crystals of mature activated cathepsin K complexed with the inhibitor grew from a solution of 18% PEG 8000, 0.6 M sodium acetate at pH 4.5 containing 0.12 M Li₂S0₄. Crystals of the complex are Form III. Diffraction data were collected as described above. The structure was determined by rigid body refinement of the previous Form II protein model at 2.5 Angstroms resolution. Fourier maps with coefficients |F_(o)-F_(c)| and |2F_(o)-F_(c)| were used to fit the atomic model of the inhibitor using the molecular graphics program FRODO. Conventional positional refinement was used to refine the structure during model building. Several cycles of map fitting and refinement were carried out using X-PLOR to a final R_(c) of 0.246.

Abbreviations

E-64, [1-[N-[(L-3-trans-carboxyoxirane-2carbonyl)-L-leucyl]amino]-4-guanidinobutane]

CBZ, benzyloxycarbonyl

AMC, aminomethylcoumarin

MPD, 2 methyl-2,4-pentanediol

PIPES, piperazone-N,N-bis(2-ethanesulfonic acid)

MES, 2-(N-morpholino)-ethanesulfonic acid

tris, tris(hydroxymethyl)-aminomethane

PEG, polyethyleneglycol

M, Molar

R_(c)=Σ|(F_(o)-F_(c))|/F₀

F_(o)=observed structure amplitude

F_(c)=calculated structure amplitude

EDTA, ethylenediaminetetraacetic acid

DTT, 1,4-dithiothreitol

SDS-PAGE, sodium dodecylsulfate polyacrylamide gel electrophoresis

This invention is not to be limited in scope by the specific embodiments described herein. Indeed, various modifications of the invention in addition to those described herein will become apparent to those skilled in the art from the foregoing description. Such modifications are intended to fall within the scope of the appended claims.

The disclosures of the patents, patent applications and publications cited herein are incorporated by reference in their entireties.

TABLE I Table of the orthogonal three dimensional coordinates in Ångstroms and B factors (Å²) for cathepsin K. Residue Atom X Y Z B 1 ALA N −3.94 11.01 90.45 15.00 1 ALA CA −4.70 12.30 90.45 15.00 1 ALA C −4.40 13.14 89.20 15.00 1 ALA O −3.34 12.99 88.57 15.00 1 ALA CB −4.36 13.12 91.73 15.00 2 PRO N −5.36 14.01 88.80 15.00 2 PRO CA −5.19 14.86 87.61 15.00 2 PRO C −4.35 16.05 88.06 15.00 2 PRO O −4.89 17.00 88.65 15.00 2 PRO CB −6.62 15.33 87.31 15.00 2 PRO CG −7.53 14.58 88.32 15.00 2 PRO CD −6.63 14.31 89.47 15.00 3 ASP N −3.04 16.00 87.87 15.00 3 ASP CA −2.25 17.14 88.30 15.00 3 ASP C −2.27 18.18 87.20 15.00 3 ASP O −1.57 18.02 86.20 15.00 3 ASP CB −0.82 16.75 88.67 15.00 3 ASP CG −0.09 17.85 89.45 15.00 3 ASP OD1 −0.74 18.83 89.89 15.00 3 ASP OD2 1.14 17.73 89.63 15.00 4 SER N −3.10 19.21 87.36 15.00 4 SER CA −3.19 20.26 86.35 15.00 4 SER C −3.97 21.51 86.77 15.00 4 SER O −4.97 21.44 87.48 15.00 4 SER CB −3.77 19.72 85.03 15.00 4 SER OG −5.17 19.55 85.08 15.00 5 VAL N −3.50 22.65 86.28 15.00 5 VAL CA −4.10 23.94 86.54 15.00 5 VAL C −4.27 24.65 85.17 15.00 5 VAL O −3.43 24.48 84.28 15.00 5 VAL CB −3.22 24.79 87.51 15.00 5 VAL CG1 −1.80 24.88 87.00 15.00 5 VAL CG2 −3.79 26.17 87.69 15.00 6 ASP N −5.39 25.34 84.99 15.00 6 ASP CA −5.67 26.08 83.76 15.00 6 ASP C −6.40 27.34 84.22 15.00 6 ASP O −7.63 27.33 84.43 15.00 6 ASP CB −6.55 25.25 82.82 15.00 6 ASP CG −6.81 25.95 81.48 15.00 6 ASP OD1 −6.11 26.94 81.14 15.00 6 ASP OD2 −7.72 25.49 80.75 15.00 7 TYR N −5.64 28.42 84.37 15.00 7 TYR CA −6.15 29.70 84.84 15.00 7 TYR C −7.18 30.35 83.96 15.00 7 TYR O −7.76 31.36 84.33 15.00 7 TYR CB −5.00 30.67 85.09 15.00 7 TYR CG −4.06 30.20 86.18 15.00 7 TYR OD1 −4.41 30.29 87.52 15.00 7 TYR OD2 −2.82 29.64 85.86 15.00 7 TYR CE1 −3.55 29.86 88.52 15.00 7 TYR CE2 −1.96 29.21 86.84 15.00 7 TYR CZ −2.33 29.31 88.17 15.00 7 TYR OH −1.48 28.86 89.14 15.00 8 ARG N −7.41 29.78 82.79 15.00 8 ARG CA −8.41 30.30 81.87 15.00 8 ARG C −9.77 30.07 82.53 15.00 8 ARG O −10.65 30.93 82.49 15.00 8 ARG CB −8.33 29.58 80.53 15.00 8 ARG CG −7.00 29.76 79.85 15.00 8 ARG CD −7.00 29.12 78.48 15.00 8 ARG NE −7.27 27.69 78.52 15.00 8 ARG CZ −6.85 26.83 77.58 15.00 8 ARG NH1 −6.15 27.27 76.54 15.00 8 ARG NH2 −7.15 25.54 77.69 15.00 9 LYS N −9.90 28.94 83.20 15.00 9 LYS CA −11.12 28.60 83.91 15.00 9 LYS C −11.16 29.33 85.28 15.00 9 LYS O −11.96 28.99 86.15 15.00 9 LYS CB −11.18 27.08 84.13 15.00 9 LYS CG −11.04 26.25 82.86 15.00 9 LYS CD −11.09 24.72 83.11 15.00 9 LYS CE −9.80 24.15 83.76 15.00 9 LYS NZ −9.78 22.65 83.99 15.00 10 LYS N −10.33 30.35 85.47 15.00 10 LYS CA −10.28 31.03 86.76 15.00 10 LYS C −10.23 32.55 86.69 15.00 10 LYS O −10.11 33.20 87.73 15.00 10 LYS CB −9.10 30.51 87.58 15.00 10 LYS CG −9.05 28.98 87.72 15.00 10 LYS CD −7.68 28.45 88.13 15.00 10 LYS CE −7.54 28.31 89.63 15.00 10 LYS NZ −7.61 29.62 90.36 15.00 11 GLY N −10.29 33.11 85.48 15.00 11 GLY CA −10.27 34.56 85.31 15.00 11 GLY C −8.96 35.28 85.53 15.00 11 GLY O −8.93 36.49 85.77 15.00 12 TYR N −7.86 34.54 85.44 15.00 12 TYR CA −6.54 35.11 85.64 15.00 12 TYR C −5.97 35.67 84.36 15.00 12 TYR O −5.13 36.58 84.39 15.00 12 TYR CB −5.57 34.04 86.13 15.00 12 TYR CG −5.76 33.63 87.56 15.00 12 TYR CD1 −6.85 32.86 87.95 15.00 12 TYR CD2 −4.82 33.98 88.52 15.00 12 TYR CE1 −7.00 32.46 89.25 15.00 12 TYR CE2 −4.96 33.58 89.83 15.00 12 TYR CZ −6.04 32.81 90.19 15.00 12 TYR OH −6.16 32.38 91.49 15.00 13 VAL N −6.40 35.09 83.24 15.00 13 VAL CA −5.92 35.47 81.92 15.00 13 VAL C −6.95 36.24 81.09 15.00 13 VAL O −8.15 36.03 81.21 15.00 13 VAL CB −5.41 34.21 81.15 15.00 13 VAL CG1 −6.54 33.26 80.89 15.00 13 VAL CG2 −4.73 34.61 79.86 15.00 14 THR N −6.45 37.19 80.31 15.00 14 THR CA −7.27 38.02 79.44 15.00 14 THR C −7.39 37.38 78.05 15.00 14 THR O −6.69 36.41 77.74 15.00 14 THR CB −6.63 39.42 79.32 15.00 14 THR OG1 −5.21 39.28 79.27 15.00 14 THR CG2 −7.00 40.28 80.52 15.00 15 PRO N −8.31 37.88 77.20 15.00 15 PRO CA −8.50 37.34 75.86 15.00 15 PRO C −7.23 37.45 75.01 15.00 15 PRO O −6.38 38.30 75.30 15.00 15 PRO CB −9.61 38.22 75.30 15.00 15 PRO CG −10.38 38.60 76.51 15.00 15 PRO CD −9.28 38.96 77.45 15.00 16 VAL N −7.14 36.65 73.95 15.00 16 VAL CA −5.97 36.64 73.08 15.00 16 VAL C −5.86 37.87 72.18 15.00 16 VAL O −6.80 38.23 71.47 15.00 16 VAL CB −5.94 35.38 72.22 15.00 16 VAL CG1 −4.70 35.38 71.34 15.00 16 VAL CG2 −5.97 34.18 73.10 15.00 17 LYS N −4.70 38.52 72.22 15.00 17 LYS CA −4.47 39.71 71.43 15.00 17 LYS C −3.49 39.39 70.31 15.00 17 LYS O −2.82 38.36 70.34 15.00 17 LYS CB −3.93 40.85 72.30 15.00 17 LYS CG −4.99 41.75 72.95 15.00 17 LYS CD −5.84 41.01 73.99 15.00 17 LYS CE −5.88 41.72 75.34 15.00 17 LYS NZ −4.53 41.86 75.97 15.00 18 ASN N −3.43 40.30 69.35 15.00 18 ASN CA −2.58 40.20 68.17 15.00 18 ASN C −1.54 41.29 68.24 15.00 18 ASN O −1.89 42.46 68.35 15.00 18 ASN CB −3.42 40.41 66.91 15.00 18 ASN CG −2.71 39.96 65.64 15.00 18 ASN OD1 −1.74 40.58 65.19 15.00 18 ASN ND2 −3.19 38.87 65.06 15.00 19 GLN N −0.27 40.92 68.15 15.00 19 GLN CA 0.79 41.91 68.23 15.00 19 GLN C 0.97 42.67 66.95 15.00 19 GLN O 1.54 43.76 66.94 15.00 19 GLN CB 2.10 41.26 68.59 15.00 19 GLN CG 2.54 40.22 67.63 15.00 19 GLN CD 3.88 39.71 67.99 15.00 19 GLN OE1 4.04 38.93 68.92 15.00 19 GLN NE2 4.89 40.20 67.31 15.00 20 GLY N 0.51 42.07 65.86 15.00 20 GLY CA 0.62 42.69 64.56 15.00 20 GLY C 1.98 42.49 63.90 15.00 20 GLY O 2.53 41.39 63.86 15.00 21 GLN N 2.50 43.60 63.38 15.00 21 GLN CA 3.77 43.62 62.67 15.00 21 GLN C 4.94 43.82 63.62 15.00 21 GLN O 6.05 43.35 63.36 15.00 21 GLN CB 3.73 44.74 61.64 15.00 21 GLN CG 2.68 44.55 60.56 15.00 21 GLN CD 2.88 43.25 59.82 15.00 21 GLN OE1 4.01 42.87 59.52 15.00 21 GLN NE2 1.79 42.55 59.56 15.00 22 CYS N 4.68 44.56 64.69 15.00 22 CYS CA 5.65 44.87 65.73 15.00 22 CYS C 6.15 43.60 66.46 15.00 22 CYS O 5.37 42.68 66.72 15.00 22 CYS CB 4.97 45.82 66.71 15.00 22 CYS SG 5.96 46.40 68.11 15.00 23 GLY N 7.45 43.53 66.73 15.00 23 GLY CA 8.00 42.37 67.42 15.00 23 GLY C 7.84 42.62 68.90 15.00 23 GLY O 8.80 42.94 69.61 15.00 24 SER N 6.60 42.54 69.37 15.00 24 SER CA 6.33 42.80 70.77 15.00 24 SER C 5.75 41.63 71.54 15.00 24 SER O 4.72 41.77 72.20 15.00 24 SER CB 5.44 44.05 70.90 15.00 24 SER OG 4.14 43.81 70.40 15.00 25 CYC N 6.39 40.47 71.48 15.00 25 CYC CA 5.88 39.34 72.25 15.00 25 CYC CB 6.32 38.03 71.63 15.00 25 CYC SG 8.04 38.06 71.17 15.00 25 CYC C 6.33 39.44 73.72 15.00 25 CYC O 5.67 38.91 74.62 15.00 25 CYC O1 7.96 38.09 69.44 15.00 26 TRP N 7.45 40.14 73.95 15.00 26 TRP CA 7.97 40.33 75.30 15.00 26 TRP C 7.04 41.24 76.05 15.00 26 TRP O 6.67 40.96 77.18 15.00 26 TRP CB 9.37 40.92 75.27 15.00 26 TRP CG 9.47 42.24 74.61 15.00 26 TRP CD1 9.74 42.49 73.30 15.00 26 TRP CD2 9.32 43.52 75.24 15.00 26 TRP NE1 9.78 43.84 73.06 15.00 26 TRP CE2 9.52 44.50 74.24 15.00 26 TRP CE3 9.04 43.94 76.55 15.00 26 TRP CZ2 9.45 45.88 74.51 15.00 26 TRP CZ3 8.98 45.32 76.82 15.00 26 TRP CH2 9.18 46.27 75.80 15.00 27 ALA N 6.63 42.32 75.39 15.00 27 ALA CA 5.70 43.30 75.95 15.00 27 ALA C 4.40 42.61 76.34 15.00 27 ALA O 3.92 42.75 77.47 15.00 27 ALA CB 5.43 44.39 74.93 15.00 28 PHE N 3.83 41.86 75.40 15.00 28 PHE CA 2.60 41.13 75.63 15.00 28 PHE C 2.79 40.08 76.73 15.00 28 PHE O 2.00 40.02 77.66 15.00 28 PHE CB 2.10 40.48 74.33 15.00 28 PHE CG 1.41 41.44 73.39 15.00 28 PHE CD1 2.14 42.29 72.57 15.00 28 PHE CD2 0.02 41.51 73.33 15.00 28 PHE CE1 1.51 43.18 71.73 15.00 28 PHE CE2 −0.62 42.40 72.49 15.00 28 PHE CZ 0.12 43.24 71.69 15.00 29 SER N 3.85 39.28 76.64 15.00 29 SER CA 4.15 38.25 77.64 15.00 29 SER C 4.33 38.84 79.03 15.00 29 SER O 3.95 38.23 80.03 15.00 29 SER CB 5.43 37.50 77.25 15.00 29 SER OG 5.78 36.51 78.20 15.00 30 SER N 4.96 40.01 79.08 15.00 30 SER CA 5.18 40.71 80.33 15.00 30 SER C 3.84 41.16 80.89 15.00 30 SER O 3.48 40.84 82.03 15.00 30 SER CB 6.10 41.91 80.10 15.00 30 SER OG 7.39 41.48 79.72 15.00 31 VAL N 3.08 41.87 80.07 15.00 31 VAL CA 1.75 42.34 80.48 15.00 31 VAL C 0.85 41.18 80.88 15.00 31 VAL O 0.03 41.31 81.77 15.00 31 VAL CB 1.09 43.16 79.36 15.00 31 VAL CG1 −0.41 43.10 79.47 15.00 31 VAL CG2 1.57 44.60 79.43 15.00 32 GLY N 1.05 40.04 80.24 15.00 32 GLY CA 0.26 38.85 80.51 15.00 32 GLY C 0.56 38.20 81.83 15.00 32 GLY O −0.24 37.41 82.32 15.00 33 ALA N 1.74 38.46 82.39 15.00 33 ALA CA 2.10 37.90 83.69 15.00 33 ALA C 1.61 38.88 84.75 15.00 33 ALA O 1.01 38.49 85.75 15.00 33 ALA CB 3.59 37.68 83.80 15.00 34 LEU N 1.79 40.17 84.49 15.00 34 LEU CA 1.35 41.21 85.40 15.00 34 LEU C −0.15 41.08 85.64 15.00 34 LEU O −0.65 41.47 86.69 15.00 34 LEU CB 1.64 42.59 84.83 15.00 34 LEU CG 3.09 42.99 84.57 15.00 34 LEU CD1 3.08 44.29 83.81 15.00 34 LEU CD2 3.84 43.15 85.87 15.00 35 GLU N −0.88 40.56 84.67 15.00 35 GLU CA −2.32 40.39 84.82 15.00 35 GLU C −2.66 39.14 85.64 15.00 35 GLU O −3.66 39.11 86.37 15.00 35 GLU CB −2.98 40.28 83.45 15.00 35 GLU CG −2.84 41.50 82.57 15.00 35 GLU CD −3.34 41.23 81.17 15.00 35 GLU OE1 −3.19 40.08 80.70 15.00 35 GLU OE2 −3.87 42.16 80.54 15.00 36 GLY N −1.84 38.10 85.50 15.00 36 GLY CA −2.08 36.89 86.26 15.00 36 GLY C −1.99 37.16 87.76 15.00 36 GLY O −2.78 36.62 88.55 15.00 37 GLN N −1.03 37.99 88.17 15.00 37 GLN CA −0.86 38.31 89.57 15.00 37 GLN C −1.88 39.32 90.06 15.00 37 GLN O −2.40 39.18 91.17 15.00 37 GLN CB 0.55 38.83 89.86 15.00 37 GLN CG 1.61 37.74 90.00 15.00 37 GLN CD 1.14 36.57 90.83 15.00 37 GLN OE1 0.97 36.67 92.05 15.00 37 GLN NE2 0.93 35.43 90.17 15.00 38 LEU N −2.17 40.32 89.23 15.00 38 LEU CA −3.14 41.34 89.61 15.00 38 LEU C −4.49 40.73 90.02 15.00 38 LEU O −5.12 41.20 90.95 15.00 38 LEU CB −3.34 42.35 88.48 15.00 38 LEU CG −4.22 43.54 88.86 15.00 38 LEU CD1 −3.64 44.20 90.08 15.00 38 LEU CD2 −4.33 44.53 87.71 15.00 39 LYS N −4.92 39.70 89.30 15.00 39 LYS CA −6.18 39.02 89.60 15.00 39 LYS C −6.00 38.22 90.90 15.00 39 LYS O −6.92 38.19 91.73 15.00 39 LYS CB −6.58 38.09 88.45 15.00 39 LYS CG −7.57 36.99 88.79 15.00 39 LYS CD −8.95 37.51 89.13 15.00 39 LYS CE −9.89 36.35 89.41 15.00 39 LYS NZ −11.25 36.77 89.82 15.00 40 LYS N −4.83 37.60 91.07 15.00 40 LYS CA −4.57 36.82 92.28 15.00 40 LYS C −4.64 37.74 93.49 15.00 40 LYS O −5.25 37.40 94.51 15.00 40 LYS CB −3.20 36.16 92.21 15.00 40 LYS CG −3.09 34.85 92.98 15.00 40 LYS CD −1.63 34.41 93.04 15.00 40 LYS CE −1.44 33.15 93.86 15.00 40 LYS NZ 0.00 32.80 94.08 15.00 41 LYS N −4.06 38.93 93.36 15.00 41 LYS CA −4.06 39.93 94.43 15.00 41 LYS C −5.40 40.66 94.59 15.00 41 LYS O −6.17 40.38 95.49 15.00 41 LYS CB −2.93 40.95 94.23 15.00 41 LYS CG −1.55 40.33 94.11 15.00 41 LYS CD −1.34 39.26 95.18 15.00 41 LYS CE −0.06 38.46 94.95 15.00 41 LYS NZ −0.04 37.19 95.74 15.00 42 THR N −5.69 41.58 93.67 15.00 42 THR CA −6.91 42.36 93.75 15.00 42 THR C −8.23 41.65 93.40 15.00 42 THR O −9.28 42.28 93.37 15.00 42 THR CB −6.77 43.64 92.91 15.00 42 THR OG1 −6.89 43.34 91.51 15.00 42 THR CG2 −5.40 44.26 93.16 15.00 43 GLY N −8.17 40.35 93.10 15.00 43 GLY CA −9.38 39.62 92.78 15.00 43 GLY C −10.09 39.89 91.44 15.00 43 GLY O −10.94 39.09 91.03 15.00 44 LYS N −9.82 41.02 90.79 15.00 44 LYS CA −10.45 41.31 89.50 15.00 44 LYS C −9.41 41.72 88.45 15.00 44 LYS O −8.48 42.49 88.73 15.00 44 LYS CB −11.57 42.34 89.64 15.00 44 LYS CG −11.20 43.55 90.45 15.00 44 LYS CD −12.43 44.28 90.95 15.00 44 LYS CE −12.02 45.39 91.93 15.00 44 LYS NZ −11.26 44.88 93.11 15.00 45 LEU N −9.60 41.19 87.25 15.00 45 LEU CA −8.69 41.41 86.13 15.00 45 LEU C −8.92 42.66 85.26 15.00 45 LEU O −10.04 43.15 85.12 15.00 45 LEU CB −8.71 40.16 85.25 15.00 45 LEU CG −7.54 39.90 84.33 15.00 45 LEU CD1 −6.25 39.87 85.12 15.00 45 LEU CD2 −7.75 38.59 83.63 15.00 46 LEU N −7.83 43.15 84.69 15.00 46 LEU CA −7.84 44.31 83.80 15.00 46 LEU C −6.81 44.09 82.69 15.00 46 LEU O −5.76 43.51 82.93 15.00 46 LEU CB −7.44 45.58 84.55 15.00 46 LEU CG −8.49 46.47 85.20 15.00 46 LEU CD1 −7.96 47.90 85.21 15.00 46 LEU CD2 −9.77 46.43 84.42 15.00 47 ASN N −7.11 44.56 81.49 15.00 47 ASN CA −6.17 44.43 80.38 15.00 47 ASN C −5.12 45.50 80.56 15.00 47 ASN O −5.45 46.67 80.62 15.00 47 ASN CB −6.88 44.66 79.03 15.00 47 ASN CG −7.67 43.45 78.57 15.00 47 ASN OD1 −7.13 42.37 78.38 15.00 47 ASN ND2 −8.97 43.65 78.34 15.00 48 LEU N −3.86 45.10 80.70 15.00 48 LEU CA −2.77 46.07 80.88 15.00 48 LEU C −2.15 46.34 79.52 15.00 48 LEU O −2.28 45.53 78.61 15.00 48 LEU CB −1.74 45.56 81.90 15.00 48 LEU CG −2.26 45.06 83.27 15.00 48 LEU CD1 −1.09 44.75 84.18 15.00 48 LEU CD2 −3.18 46.08 83.91 15.00 49 SER N −1.46 47.47 79.36 15.00 49 SER CA −0.91 47.82 78.06 15.00 49 SER C 0.51 47.42 77.67 15.00 49 SER O 1.48 47.79 78.33 15.00 49 SER CB −1.10 49.32 77.77 15.00 49 SER OG −0.19 50.13 78.51 15.00 50 PRO N 0.64 46.66 76.56 15.00 50 PRO CA 1.94 46.22 76.04 15.00 50 PRO C 2.59 47.44 75.41 15.00 50 PRO O 3.80 47.52 75.25 15.00 50 PRO CB 1.54 45.21 74.97 15.00 50 PRO CG 0.21 44.71 75.44 15.00 50 PRO CD −0.45 45.98 75.85 15.00 51 GLN N 1.74 48.40 75.03 15.00 51 GLN CA 2.18 49.65 74.43 15.00 51 GLN C 3.01 50.45 75.42 15.00 51 GLN O 4.12 50.87 75.11 15.00 51 GLN CB 0.97 50.49 74.00 15.00 51 GLN CG 1.33 51.66 73.08 15.00 51 GLN CD 1.77 51.20 71.71 15.00 51 GLN OE1 0.96 50.74 70.92 15.00 51 GLN NE2 3.06 51.26 71.44 15.00 52 ASN N 2.47 50.66 76.62 15.00 52 ASN CA 3.18 51.42 77.65 15.00 52 ASN C 4.59 50.85 77.83 15.00 52 ASN O 5.56 51.59 77.97 15.00 52 ASN CB 2.42 51.35 78.97 15.00 52 ASN CG 3.09 52.12 80.09 15.00 52 ASN OD1 2.74 51.95 81.25 15.00 52 ASN ND2 4.04 52.99 79.74 15.00 53 LEU N 4.68 49.53 77.81 15.00 53 LEU CA 5.95 48.86 77.94 15.00 53 LEU C 6.82 49.21 76.72 15.00 53 LEU O 7.87 49.84 76.88 15.00 53 LEU CB 5.75 47.35 78.08 15.00 53 LEU CG 5.11 46.95 79.41 15.00 53 LEU CD1 4.91 45.45 79.49 15.00 53 LEU CD2 6.00 47.41 80.54 15.00 54 VAL N 6.33 48.87 75.52 15.00 54 VAL CA 7.03 49.15 74.25 15.00 54 VAL C 7.63 50.55 74.20 15.00 54 VAL O 8.85 50.72 74.04 15.00 54 VAL CB 6.06 49.01 73.03 15.00 54 VAL CG1 6.70 49.55 71.75 15.00 54 VAL CG2 5.67 47.56 72.83 15.00 55 ASP N 6.76 51.55 74.37 15.00 55 ASP CA 7.12 52.96 74.31 15.00 55 ASP C 8.05 53.45 75.40 15.00 55 ASP O 8.84 54.37 75.19 15.00 55 ASP CB 5.85 53.84 74.36 15.00 55 ASP CG 4.87 53.56 73.22 15.00 55 ASP OD1 5.23 52.86 72.24 15.00 55 ASP OD2 3.72 54.05 73.29 15.00 56 CYS N 7.97 52.82 76.56 15.00 56 CYS CA 8.76 53.27 77.70 15.00 56 CYS C 9.97 52.47 78.16 15.00 56 CYS O 10.98 53.06 78.54 15.00 56 CYS CB 7.81 53.52 78.84 15.00 56 CYS SG 6.36 54.45 78.28 15.00 57 VAL N 9.87 51.15 78.17 15.00 57 VAL CA 10.98 50.31 78.60 15.00 57 VAL C 12.16 50.44 77.62 15.00 57 VAL O 12.50 49.50 76.90 15.00 57 VAL CB 10.54 48.83 78.71 15.00 57 VAL CG1 11.66 47.98 79.32 15.00 57 VAL CG2 9.26 48.72 79.52 15.00 58 SER N 12.85 51.57 77.67 15.00 58 SER CA 13.98 51.87 76.80 15.00 58 SER C 15.15 50.91 76.84 15.00 58 SER O 16.13 51.10 76.13 15.00 58 SER CB 14.48 53.27 77.09 15.00 58 SER OG 14.95 53.34 78.42 15.00 59 GLU N 15.09 49.92 77.71 15.00 59 GLU CA 16.15 48.93 77.82 15.00 59 GLU C 15.93 47.86 76.73 15.00 59 GLU O 16.77 46.99 76.50 15.00 59 GLU CB 16.14 48.30 79.22 15.00 59 GLU CG 16.39 49.27 80.39 15.00 59 GLU CD 15.13 49.97 80.88 15.00 59 GLU OE1 14.38 49.38 81.70 15.00 59 GLU OE2 14.90 51.13 80.46 15.00 60 ASN N 14.77 47.91 76.10 15.00 60 ASN CA 14.43 46.98 75.04 15.00 60 ASN C 14.26 47.73 73.71 15.00 60 ASN O 13.99 48.94 73.69 15.00 60 ASN CB 13.13 46.26 75.38 15.00 60 ASN CG 13.27 45.35 76.57 15.00 60 ASN OD1 12.35 45.22 77.38 15.00 60 ASN ND2 14.41 44.68 76.68 15.00 61 ASP N 14.39 47.02 72.61 15.00 61 ASP CA 14.25 47.65 71.31 15.00 61 ASP C 12.82 48.03 70.94 15.00 61 ASP O 12.60 48.65 69.91 15.00 61 ASP CB 14.84 46.75 70.23 15.00 61 ASP CG 15.93 47.43 69.44 15.00 61 ASP OD1 15.87 48.66 69.28 15.00 61 ASP OD2 16.85 46.72 68.98 15.00 62 GLY N 11.84 47.67 71.77 15.00 62 GLY CA 10.46 47.99 71.45 15.00 62 GLY C 9.91 47.03 70.41 15.00 62 GLY O 9.71 45.85 70.70 15.00 63 CYS N 9.68 47.50 69.20 15.00 63 CYS CA 9.19 46.60 68.16 15.00 63 CYS C 10.33 45.71 67.70 15.00 63 CYS O 10.09 44.70 67.04 15.00 63 CYS CB 8.59 47.36 66.99 15.00 63 CYS SG 6.94 48.02 67.38 15.00 64 GLY N 11.56 46.10 68.03 15.00 64 GLY CA 12.72 45.32 67.68 15.00 64 GLY C 12.90 44.16 68.64 15.00 64 GLY O 13.65 43.21 68.37 15.00 65 GLY N 12.20 44.23 69.78 15.00 65 GLY CA 12.28 43.17 70.77 15.00 65 GLY C 12.86 43.58 72.11 15.00 65 GLY O 13.34 44.70 72.31 15.00 66 GLY N 12.81 42.65 73.05 15.00 66 GLY CA 13.34 42.92 74.37 15.00 66 GLY C 13.08 41.77 75.32 15.00 66 GLY O 12.42 40.80 74.94 15.00 67 TYR N 13.57 41.90 76.55 15.00 67 TYR CA 13.40 40.87 77.56 15.00 67 TYR C 12.23 41.18 78.48 15.00 67 TYR O 11.93 42.34 78.75 15.00 67 TYR CB 14.68 40.76 78.39 15.00 67 TYR CG 15.91 40.56 77.55 15.00 67 TYR CD1 16.20 39.32 76.98 15.00 67 TYR CD2 16.77 41.61 77.29 15.00 67 TYR CE1 17.33 39.13 76.18 15.00 67 TYR CE2 17.90 41.44 76.49 15.00 67 TYR CZ 18.18 40.20 75.94 15.00 67 TYR OH 19.27 40.05 75.12 15.00 68 MET N 11.57 40.13 78.99 15.00 68 MET CA 10.45 40.33 79.90 15.00 68 MET C 10.90 40.92 81.23 15.00 68 MET O 10.21 41.72 81.83 15.00 68 MET CB 9.72 39.00 80.18 15.00 68 MET CG 8.97 38.38 79.00 15.00 68 MET SD 9.97 37.36 77.92 15.00 68 MET CE 11.01 36.45 79.11 15.00 69 THR N 12.09 40.53 81.68 15.00 69 THR CA 12.62 41.03 82.94 15.00 69 THR C 12.76 42.55 82.93 15.00 69 THR O 12.33 43.21 83.87 15.00 69 THR CB 13.98 40.37 83.29 15.00 69 THR OG1 14.96 40.72 82.30 15.00 69 THR CG2 13.84 38.85 83.35 15.00 70 ASN N 13.33 43.09 81.85 15.00 70 ASN CA 13.53 44.54 81.73 15.00 70 ASN C 12.24 45.34 81.80 15.00 70 ASN O 12.25 46.51 82.16 15.00 70 ASN CB 14.28 44.87 80.45 15.00 70 ASN CG 15.72 44.45 80.52 15.00 70 ASN OD1 16.11 43.68 81.39 15.00 70 ASN ND2 16.54 44.97 79.61 15.00 71 ALA N 11.14 44.68 81.45 15.00 71 ALA CA 9.81 45.28 81.50 15.00 71 ALA C 9.27 45.18 82.93 15.00 71 ALA O 8.72 46.14 83.46 15.00 71 ALA CB 8.88 44.57 80.51 15.00 72 PHE N 9.46 44.02 83.55 15.00 72 PHE CA 9.02 43.79 84.93 15.00 72 PHE C 9.63 44.86 85.81 15.00 72 PHE O 8.94 45.51 86.59 15.00 72 PHE CB 9.49 42.43 85.44 15.00 72 PHE CG 8.73 41.28 84.88 15.00 72 PHE CD1 7.40 41.42 84.52 15.00 72 PHE CD2 9.34 40.04 84.73 15.00 72 PHE CE1 6.67 40.35 84.03 15.00 72 PHE CE2 8.62 38.96 84.24 15.00 72 PHE CZ 7.29 39.12 83.89 15.00 73 GLN N 10.93 45.05 85.64 15.00 73 GLN CA 11.67 46.04 86.41 15.00 73 GLN C 11.17 47.48 86.11 15.00 73 GLN O 11.29 48.37 86.94 15.00 73 GLN CB 13.16 45.86 86.13 15.00 73 GLN CG 14.11 46.75 86.94 15.00 73 GLN CD 14.52 46.20 88.32 15.00 73 GLN OE1 15.45 46.73 88.93 15.00 73 GLN NE2 13.85 45.16 88.80 15.00 74 TYR N 10.54 47.68 84.96 15.00 74 TYR CA 10.04 49.00 84.58 15.00 74 TYR C 8.81 49.41 85.38 15.00 74 TYR O 8.69 50.56 85.81 15.00 74 TYR CB 9.72 49.05 83.08 15.00 74 TYR CG 8.90 50.26 82.67 15.00 74 TYR CD1 9.48 51.52 82.60 15.00 74 TYR CD2 7.54 50.14 82.44 15.00 74 TYR CE1 8.71 52.63 82.31 15.00 74 TYR CE2 6.77 51.25 82.15 15.00 74 TYR CZ 7.36 52.49 82.09 15.00 74 TYR OH 6.58 53.59 81.84 15.00 75 VAL N 7.87 48.48 85.54 15.00 75 VAL CA 6.65 48.74 86.31 15.00 75 VAL C 7.07 49.05 87.76 15.00 75 VAL O 6.41 49.80 88.47 15.00 75 VAL CB 5.73 47.48 86.38 15.00 75 VAL CG1 4.32 47.87 86.73 15.00 75 VAL CG2 5.77 46.72 85.07 15.00 76 GLN N 8.18 48.44 88.18 15.00 76 GLN CA 8.71 48.62 89.52 15.00 76 GLN C 9.26 50.02 89.71 15.00 76 GLN O 8.62 50.86 90.31 15.00 76 GLN CB 9.78 47.57 89.79 15.00 76 GLN CG 10.35 47.60 91.20 15.00 76 GLN CD 11.53 46.64 91.36 15.00 76 GLN OE1 12.17 46.25 90.38 15.00 76 GLN NE2 11.80 46.25 92.59 15.00 77 LYS N 10.43 50.30 89.15 15.00 77 LYS CA 11.04 51.62 89.32 15.00 77 LYS C 10.24 52.83 88.85 15.00 77 LYS O 10.34 53.90 89.44 15.00 77 LYS CB 12.44 51.64 88.71 15.00 77 LYS CG 12.52 51.06 87.30 15.00 77 LYS CD 13.96 50.69 86.97 15.00 77 LYS CE 14.06 49.75 85.79 15.00 77 LYS NZ 15.39 49.07 85.82 15.00 78 ASN N 9.48 52.69 87.77 15.00 78 ASN CA 8.67 53.81 87.31 15.00 78 ASN C 7.51 53.96 88.28 15.00 78 ASN O 6.94 55.03 88.41 15.00 78 ASN CB 8.12 53.56 85.90 15.00 78 ASN CG 7.17 54.66 85.44 15.00 78 ASN OD1 7.61 55.76 85.09 15.00 78 ASN ND2 5.88 54.37 85.44 15.00 79 ARG N 7.19 52.86 88.95 15.00 79 ARG CA 6.11 52.78 89.94 15.00 79 ARG C 4.71 52.88 89.33 15.00 79 ARG O 4.05 53.92 89.37 15.00 79 ARG CB 6.31 53.81 91.08 15.00 79 ARG CG 7.67 53.69 91.80 15.00 79 ARG CD 7.80 54.56 93.06 15.00 79 ARG NE 6.84 54.23 94.12 15.00 79 ARG CZ 6.60 53.00 94.59 15.00 79 ARG NH1 7.24 51.94 94.09 15.00 79 ARG NH2 5.73 52.83 95.58 15.00 80 GLY N 4.27 51.76 88.76 15.00 80 GLY CA 2.95 51.68 88.15 15.00 80 GLY C 2.98 51.54 86.64 15.00 80 GLY O 3.87 52.07 85.97 15.00 81 ILE N 1.98 50.85 86.10 15.00 81 ILE CA 1.88 50.64 84.66 15.00 81 ILE C 0.45 50.97 84.23 15.00 81 ILE O −0.49 50.68 84.96 15.00 81 ILE CB 2.19 49.17 84.30 15.00 81 ILE CG1 2.27 48.99 82.78 15.00 81 ILE CG2 1.14 48.24 84.90 15.00 81 ILE CD1 2.64 47.59 82.36 15.00 82 ASP N 0.29 51.58 83.05 15.00 82 ASP CA −1.04 51.93 82.56 15.00 82 ASP C −1.89 50.76 82.07 15.00 82 ASP O −1.38 49.69 81.71 15.00 82 ASP CB −0.93 52.93 81.42 15.00 82 ASP CG −0.47 54.29 81.87 15.00 82 ASP OD1 −0.66 54.63 83.06 15.00 82 ASP OD2 0.08 55.02 81.02 15.00 83 SER N −3.20 50.96 82.05 15.00 83 SER CA −4.12 49.95 81.56 15.00 83 SER C −4.32 50.20 80.07 15.00 83 SER O −4.22 51.34 79.61 15.00 83 SER CB −5.46 50.02 82.32 15.00 83 SER CG −6.06 51.30 82.22 15.00 84 GLU N −4.61 49.14 79.32 15.00 84 GLU CA −4.81 49.22 77.86 15.00 84 GLU C −5.66 50.40 77.38 15.00 84 GLU O −5.20 51.19 76.57 15.00 84 GLU CB −5.39 47.91 77.33 15.00 84 GLU CG −5.73 47.89 75.85 15.00 84 GLU CD −4.51 47.97 74.94 15.00 84 GLU OE1 −3.51 47.25 75.17 15.00 84 GLU OE2 −4.57 48.74 73.96 15.00 85 ASP N −6.87 50.53 77.90 15.00 85 ASP CA −7.72 51.61 77.45 15.00 85 ASP C −7.12 52.99 77.70 15.00 85 ASP O −7.49 53.97 77.03 15.00 85 ASP CB −9.10 51.52 78.07 15.00 85 ASP CG −10.07 52.52 77.46 15.00 85 ASP OD1 −9.97 52.79 76.24 15.00 85 ASP OD2 −10.93 53.06 78.21 15.00 86 ALA N −6.18 53.08 78.64 15.00 86 ALA CA −5.54 54.36 78.93 15.00 86 ALA C −4.30 54.57 78.04 15.00 86 ALA O −3.90 55.70 77.78 15.00 86 ALA CB −5.16 54.45 80.40 15.00 87 TYR N −3.74 53.48 77.53 15.00 87 TYR CA −2.56 53.54 76.67 15.00 87 TYR C −2.69 52.41 75.64 15.00 87 TYR O −1.98 51.39 75.73 15.00 87 TYR CB −1.32 53.33 77.55 15.00 87 TYR CG −0.03 53.89 77.01 15.00 87 TYR CD1 0.20 53.99 75.64 15.00 87 TYR CD2 0.99 54.29 77.89 15.00 87 TYR CE1 1.41 54.47 75.16 15.00 87 TYR CE2 2.20 54.77 77.41 15.00 87 TYR CZ 2.41 54.86 76.05 15.00 87 TYR OH 3.61 55.32 75.57 15.00 88 PRO N −3.60 52.58 74.65 15.00 88 PRO CA −3.93 51.66 73.55 15.00 88 PRO C −2.80 51.22 72.61 15.00 88 PRO O −2.08 52.05 72.06 15.00 88 PRO CB −5.01 52.43 72.79 15.00 88 PRO CG −5.64 53.28 73.84 15.00 88 PRO CD −4.42 53.80 74.54 15.00 89 TYR N −2.74 49.92 72.34 15.00 89 TYR CA −1.71 49.35 71.48 15.00 89 TYR C −1.83 49.79 70.01 15.00 89 TYR O −2.46 49.11 69.21 15.00 89 TYR CB −1.74 47.82 71.56 15.00 89 TYR CG −0.54 47.18 70.92 15.00 89 TYR CD1 0.75 47.59 71.30 15.00 89 TYR CD2 −0.66 46.24 69.91 15.00 89 TYR CE1 1.88 47.07 70.69 15.00 89 TYR CE2 0.47 45.70 69.28 15.00 89 TYR CZ 1.74 46.13 69.68 15.00 89 TYR OH 2.87 45.65 69.09 15.00 90 VAL N −1.19 50.88 69.65 15.00 90 VAL CA −1.22 51.40 68.29 15.00 90 VAL C −0.55 50.51 67.23 15.00 90 VAL O −0.83 50.63 66.03 15.00 90 VAL CB −0.63 52.83 68.21 15.00 90 VAL CG1 −1.26 53.71 69.28 15.00 90 VAL CG2 0.88 52.80 68.33 15.00 91 GLY N 0.37 49.65 67.64 15.00 91 GLY CA 1.01 48.77 66.67 15.00 91 GLY C 2.38 49.17 66.15 15.00 91 GLY O 2.89 48.57 65.20 15.00 92 GLN N 3.00 50.17 66.77 15.00 92 GLN CA 4.32 50.61 66.35 15.00 92 GLN C 4.96 51.34 67.52 15.00 92 GLN O 4.33 51.51 68.57 15.00 92 GLN CB 4.21 51.53 65.13 15.00 92 GLN CG 3.46 52.85 65.38 15.00 92 GLN CD 3.28 53.70 64.12 15.00 92 GLN OE1 3.93 54.73 63.94 15.00 92 GLN NE2 2.39 53.25 63.25 15.00 93 GLU N 6.19 51.79 67.34 15.00 93 GLU CA 6.90 52.49 68.39 15.00 93 GLU C 6.60 53.99 68.38 15.00 93 GLU O 6.84 54.67 67.38 15.00 93 GLU CB 8.41 52.27 68.23 15.00 93 GLU CG 8.80 50.81 68.17 15.00 93 GLU CD 10.30 50.60 68.23 15.00 93 GLU OE1 10.85 50.53 69.35 15.00 93 GLU OE2 10.93 50.50 67.15 15.00 94 GLU N 6.08 54.49 69.49 15.00 94 GLU CA 5.76 55.90 69.63 15.00 94 GLU C 6.54 56.47 70.80 15.00 94 GLU O 7.40 55.80 71.37 15.00 94 GLU CB 4.27 56.10 69.86 15.00 94 GLU CG 3.45 56.13 68.58 15.00 94 GLU CD 1.96 56.28 68.85 15.00 94 GLU OE1 1.48 55.64 69.81 15.00 94 GLU OE2 1.27 57.03 68.11 15.00 95 SER N 6.22 57.71 71.14 15.00 95 SER CA 6.84 58.41 72.26 15.00 95 SER C 6.16 57.91 73.52 15.00 95 SER O 4.92 57.82 73.58 15.00 95 SER CB 6.63 59.93 72.12 15.00 95 SER OG 5.25 60.23 71.89 15.00 96 CYS N 6.96 57.55 74.51 15.00 96 CYS CA 6.44 57.04 75.77 15.00 96 CYS C 5.44 58.02 76.39 15.00 96 CYS O 5.84 59.03 76.95 15.00 96 CYS CB 7.59 56.77 76.74 15.00 96 CYS SG 7.00 56.38 78.40 15.00 97 MET N 4.15 57.73 76.21 15.00 97 MET CA 3.06 58.55 76.74 15.00 97 MET C 2.40 58.00 78.01 15.00 97 MET O 1.16 57.90 78.06 15.00 97 MET CB 1.97 58.73 75.69 15.00 97 MET CG 2.36 59.52 74.45 15.00 97 MET SD 1.29 58.98 73.09 15.00 97 MET CE −0.36 59.43 73.71 15.00 98 TYR N 3.20 57.65 79.01 15.00 98 TYR CA 2.67 57.13 80.26 15.00 98 TYR C 1.93 58.21 81.06 15.00 98 TYR O 2.48 59.26 81.38 15.00 98 TYR CB 3.78 56.51 81.11 15.00 98 TYR CG 3.32 56.04 82.48 15.00 98 TYR CD1 3.24 56.92 83.56 15.00 98 TYR CD2 2.95 54.72 82.69 15.00 98 TYR CE1 2.81 56.49 84.80 15.00 98 TYR CE2 2.52 54.29 83.95 15.00 98 TYR CZ 2.45 55.18 84.99 15.00 98 TYR OH 2.02 54.77 86.22 15.00 99 ASN N 0.69 57.92 81.43 15.00 99 ASN CA −0.14 58.84 82.20 15.00 99 ASN C −0.54 58.20 83.54 15.00 99 ASN O −1.31 57.23 83.58 15.00 99 ASN CB −1.37 59.22 81.36 15.00 99 ASN CG −2.38 60.08 82.13 15.00 99 ASN OD1 −2.01 60.89 82.99 15.00 99 ASN ND2 −3.66 59.90 81.80 15.00 100 PRO N −0.02 58.74 84.65 15.00 100 PRO CA −0.30 58.24 86.00 15.00 100 PRO C −1.77 58.23 86.33 15.00 100 PRO O −2.22 57.46 87.19 15.00 100 PRO CB 0.45 59.22 86.90 15.00 100 PRO CG 1.58 59.70 86.02 15.00 100 PRO CD 0.86 59.92 84.71 15.00 101 THR N −2.53 59.08 85.65 15.00 101 THR CA −3.96 59.13 85.89 15.00 101 THR C −4.56 57.81 85.43 15.00 101 THR O −5.64 57.43 85.89 15.00 101 THR CB −4.63 60.25 85.10 15.00 101 THR OG1 −3.86 61.45 85.21 15.00 101 THR CG2 −6.03 60.52 85.66 15.00 102 GLY N −3.86 57.13 84.52 15.00 102 GLY CA −4.33 55.86 84.01 15.00 102 GLY C −3.55 54.62 84.42 15.00 102 GLY O −3.52 53.65 83.67 15.00 103 LYS N −2.90 54.62 85.59 15.00 103 LYS CA −2.15 53.44 86.02 15.00 103 LYS C −3.12 52.35 86.50 15.00 103 LYS O −4.26 52.65 86.86 15.00 103 LYS CB −1.13 53.83 87.11 15.00 103 LYS CG −1.51 53.50 88.56 15.00 103 LYS CD −0.97 52.13 88.98 15.00 103 LYS CE −1.39 51.77 90.40 15.00 103 LYS NZ −1.11 50.35 90.75 15.00 104 ALA N −2.68 51.10 86.52 15.00 104 ALA CA −3.55 50.01 86.96 15.00 104 ALA C −2.86 48.86 87.68 15.00 104 ALA O −3.52 47.92 88.12 15.00 104 ALA CB −4.37 49.49 85.79 15.00 105 ALA N −1.55 48.92 87.82 15.00 105 ALA CA −0.83 47.87 88.50 15.00 105 ALA C 0.53 48.36 88.97 15.00 105 ALA O 1.06 49.35 88.44 15.00 105 ALA CB −0.67 46.68 87.59 15.00 106 LYS N 1.07 47.69 90.00 15.00 106 LYS CA 2.39 48.03 90.56 15.00 106 LYS C 3.24 46.76 90.62 15.00 106 LYS O 2.73 45.65 90.44 15.00 106 LYS CB 2.24 48.66 91.95 15.00 106 LYS CG 1.78 50.12 91.94 15.00 106 LYS CD 1.32 50.56 93.31 15.00 106 LYS CE 2.44 50.52 94.34 15.00 106 LYS NZ 3.48 51.56 94.06 15.00 107 CYS N 4.54 46.92 90.90 15.00 107 CYS CA 5.42 45.76 90.90 15.00 107 CYS C 6.51 45.83 91.97 15.00 107 CYS O 7.16 46.86 92.14 15.00 107 CYS CB 6.07 45.65 89.52 15.00 107 CYS SG 6.62 44.03 89.03 15.00 108 ARG N 6.70 44.73 92.69 15.00 108 ARG A 7.71 44.62 93.74 15.00 108 ARG C 8.93 43.86 93.19 15.00 108 ARG O 9.61 43.14 93.93 15.00 108 ARG CB 7.16 43.87 94.96 15.00 108 ARG CG 6.08 44.58 95.79 15.00 108 ARG CD 5.41 43.58 96.74 15.00 108 ARG NE 6.38 42.60 97.25 15.00 108 ARG CZ 6.16 41.29 97.39 15.00 108 ARG NH1 4.99 40.74 97.08 15.00 108 ARG NH2 7.16 40.52 97.80 15.00 109 GLY N 9.21 44.02 91.90 15.00 109 GLY CA 10.34 43.34 91.30 15.00 109 GLY C 9.92 42.13 90.50 15.00 109 GLY O 8.77 42.01 90.10 15.00 110 TYR N 10.86 41.22 90.29 15.00 110 TYR CA 10.59 39.99 89.54 15.00 110 TYR C 11.44 38.82 90.02 15.00 110 TYR O 12.41 38.99 90.75 15.00 110 TYR CB 10.85 40.21 88.05 15.00 110 TYR CG 12.30 40.42 87.70 15.00 110 TYR CD1 13.13 39.33 87.46 15.00 110 TYR CD2 12.82 41.70 87.58 15.00 110 TYR CE1 14.46 39.52 87.10 15.00 110 TYR CE2 14.14 41.89 87.22 15.00 110 TYR CZ 14.95 40.80 86.98 15.00 110 TYR OH 16.25 40.99 86.61 15.00 111 ARG N 11.13 37.63 89.52 15.00 111 ARG CA 11.87 36.45 89.91 15.00 111 ARG C 11.88 35.46 88.75 15.00 111 ARG O 10.90 35.34 88.03 15.00 111 ARG CB 11.23 35.85 91.16 15.00 111 ARG CG 12.14 34.90 91.88 15.00 111 ARG CD 11.70 34.66 93.31 15.00 111 ARG NE 12.85 34.20 94.09 15.00 111 ARG CZ 13.87 34.98 94.44 15.00 111 ARG NH1 13.87 36.28 94.12 15.00 111 ARG NH2 14.89 34.48 95.13 15.00 112 GLU N 13.00 34.76 88.58 15.00 112 GLU CA 13.15 33.79 87.50 15.00 112 GLU C 13.25 32.35 87.94 15.00 112 GLU O 13.55 32.06 89.11 15.00 112 GLU CB 14.38 34.11 86.66 15.00 112 GLU CG 14.35 35.49 86.11 15.00 112 GLU CD 15.46 35.72 85.14 15.00 112 GLU OE1 15.30 35.30 83.97 15.00 112 GLU OE2 16.49 36.31 85.56 15.00 113 ILE N 12.98 31.46 86.99 15.00 113 ILE CA 13.02 30.03 87.20 15.00 113 ILE C 14.46 29.65 86.91 15.00 113 ILE O 15.13 30.34 86.15 15.00 113 ILE CB 12.04 29.30 86.23 15.00 113 ILE CG1 10.60 29.50 86.70 15.00 113 ILE CG2 12.36 27.81 86.13 15.00 113 ILE CD1 10.10 30.93 86.65 15.00 114 PRO N 15.01 28.64 87.60 15.00 114 PRO CA 16.40 28.30 87.29 15.00 114 PRO C 16.50 27.74 85.87 15.00 114 PRO O 15.74 26.85 85.48 15.00 114 PRO CB 16.77 27.29 88.39 15.00 114 PRO CG 15.46 26.66 88.76 15.00 114 PRO CD 14.52 27.85 88.75 15.00 115 GLU N 17.41 28.32 85.09 15.00 115 GLU CA 17.61 27.97 83.68 15.00 115 GLU C 17.55 26.49 83.35 15.00 115 GLU O 18.36 25.70 83.84 15.00 115 GLU CB 18.93 28.56 83.15 15.00 115 GLU CG 18.92 30.09 82.86 15.00 115 GLU CD 20.11 30.56 81.97 15.00 115 GLU OE1 20.75 29.70 81.31 15.00 115 GLU OE2 20.39 31.79 81.92 15.00 116 GLY N 16.55 26.11 82.56 15.00 116 GLY CA 16.41 24.74 82.12 15.00 116 GLY C 15.76 23.78 83.08 15.00 116 GLY O 15.81 22.56 82.88 15.00 117 ASN N 15.13 24.31 84.11 15.00 117 ASN CA 14.47 23.47 85.10 15.00 117 ASN C 12.97 23.47 84.87 15.00 117 ASN O 12.28 24.43 85.22 15.00 117 ASN CB 14.77 23.97 86.51 15.00 117 ASN CG 14.21 23.05 87.58 15.00 117 ASN OD1 13.32 22.23 87.32 15.00 117 ASN ND2 14.72 23.19 88.80 15.00 118 GLU N 12.47 22.38 84.29 15.00 118 GLU CA 11.05 22.27 84.03 15.00 118 GLU C 10.22 22.01 85.27 15.00 118 GLU O 9.16 22.60 85.42 15.00 118 GLU CB 10.75 21.20 82.99 15.00 118 GLU CG 10.96 21.66 81.56 15.00 118 GLU CD 10.34 20.72 80.56 15.00 118 GLU OE1 9.11 20.82 80.33 15.00 118 GLU OE2 11.08 19.88 80.01 15.00 119 LYS N 10.73 21.18 86.18 15.00 119 LYS CA 10.00 20.87 87.41 15.00 119 LYS C 9.79 22.11 88.28 15.00 119 LYS O 8.78 22.21 88.98 15.00 119 LYS CB 10.68 19.76 88.21 15.00 119 LYS CG 9.94 18.40 88.14 15.00 119 LYS CD 10.13 17.64 86.81 15.00 119 LYS CE 9.28 16.35 86.76 15.00 119 LYS NZ 9.62 15.29 87.79 15.00 120 ALA N 10.73 23.04 88.21 15.00 120 ALA CA 10.61 24.30 88.94 15.00 120 ALA C 9.57 25.15 88.23 15.00 120 ALA O 8.72 25.75 88.88 15.00 120 ALA CB 11.93 25.04 88.99 15.00 121 LEU N 9.62 25.19 86.89 15.00 121 LEU CA 8.66 25.96 86.09 15.00 121 LEU C 7.23 25.51 86.39 15.00 121 LEU O 6.34 26.34 86.52 15.00 121 LEU CB 8.94 25.82 84.58 15.00 121 LEU CG 7.91 26.43 83.60 15.00 121 LEU CD1 8.09 27.93 83.52 15.00 121 LEU CD2 8.08 25.84 82.22 15.00 122 LYS N 7.02 24.21 86.51 15.00 122 LYS CA 5.69 23.70 86.81 15.00 122 LYS C 5.24 24.18 88.19 15.00 122 LYS O 4.07 24.52 88.38 15.00 122 LYS CB 5.66 22.17 86.76 15.00 122 LYS CG 4.31 21.58 87.17 15.00 122 LYS CD 4.36 20.07 87.30 15.00 122 LYS CE 5.50 19.63 88.22 15.00 122 LYS NZ 5.63 18.14 88.27 15.00 123 ARG N 6.16 24.19 89.15 15.00 123 ARG CA 5.84 24.63 90.51 15.00 123 ARG C 5.51 26.11 90.47 15.00 123 ARG O 4.53 26.54 91.07 15.00 123 ARG CB 6.99 24.36 91.49 15.00 123 ARG CG 7.32 22.88 91.65 15.00 123 ARG CD 8.14 22.58 92.89 15.00 123 ARG NE 9.59 22.54 92.68 15.00 123 ARG CZ 10.40 23.60 92.76 15.00 123 ARG NH1 9.92 24.80 93.04 15.00 123 ARG NH2 11.71 23.43 92.63 15.00 124 ALA N 6.30 26.87 89.73 15.00 124 ALA CA 6.09 28.30 89.58 15.00 124 ALA C 4.72 28.57 88.98 15.00 124 ALA O 3.98 29.41 89.47 15.00 124 ALA CB 7.19 28.91 88.71 15.00 125 VAL N 4.37 27.84 87.92 15.00 125 VAL CA 3.07 28.02 87.28 15.00 125 VAL C 1.95 27.63 88.24 15.00 125 VAL O 0.88 28.23 88.22 15.00 125 VAL CB 2.96 27.17 85.98 15.00 125 VAL CG1 1.52 27.07 85.51 15.00 125 VAL CG2 3.78 27.79 84.88 15.00 126 ALA N 2.21 26.64 89.08 15.00 126 ALA CA 1.22 26.16 90.04 15.00 126 ALA C 1.10 26.92 91.36 15.00 126 ALA O 0.03 26.95 91.97 15.00 126 ALA CB 1.43 24.68 90.31 15.00 127 ARG N 2.20 27.51 91.82 15.00 127 ARG CA 2.21 28.25 93.07 15.00 127 ARG C 1.97 29.74 92.86 15.00 127 ARG O 1.45 30.43 93.75 15.00 127 ARG CB 3.55 28.07 93.81 15.00 127 ARG CG 3.44 27.25 95.07 15.00 127 ARG CD 3.83 25.82 94.84 15.00 127 ARG NE 5.24 25.57 95.18 15.00 127 ARG CZ 5.76 24.37 95.39 15.00 127 ARG NH1 5.03 23.27 95.29 15.00 127 ARG NH2 7.04 24.27 95.69 15.00 128 VAL N 2.38 30.23 91.69 15.00 128 VAL CA 2.22 31.64 91.36 15.00 128 VAL C 1.08 31.86 90.37 15.00 128 VAL O 0.06 32.47 90.67 15.00 128 VAL CB 3.53 32.20 90.78 15.00 128 VAL CG1 3.48 33.72 90.75 15.00 128 VAL CG2 4.72 31.71 91.58 15.00 129 GLY N 1.27 31.35 89.16 15.00 129 GLY CA 0.26 31.49 88.14 15.00 129 GLY C 0.98 31.73 86.84 15.00 129 GLY O 2.11 31.28 86.67 15.00 130 PRO N 0.36 32.47 85.91 15.00 130 PRO CA 0.96 32.76 84.62 15.00 130 PRO C 2.37 33.32 84.72 15.00 130 PRO O 2.60 34.37 85.32 15.00 130 PRO CB −0.03 33.76 84.02 15.00 130 PRO CG −1.33 33.27 84.53 15.00 130 PRO CD −1.00 33.01 85.99 15.00 131 VAL N 3.32 32.57 84.15 15.00 131 VAL CA 4.72 32.96 84.13 15.00 131 VAL C 5.09 33.29 82.67 15.00 131 VAL O 4.48 32.77 81.73 15.00 131 VAL CB 5.63 31.83 84.73 15.00 131 VAL CG1 5.57 30.58 83.89 15.00 131 VAL CG2 7.07 32.28 84.86 15.00 132 SER N 6.03 34.23 82.49 15.00 132 SER CA 6.49 34.64 81.17 15.00 132 SER C 7.58 33.70 80.71 15.00 132 SER O 8.60 33.56 81.40 15.00 132 SER CB 7.08 36.05 81.25 15.00 132 SER OG 6.16 36.98 81.80 15.00 133 VAL N 7.39 33.03 79.58 15.00 133 VAL CA 8.39 32.10 79.03 15.00 133 VAL C 8.84 32.58 77.67 15.00 133 VAL O 8.20 33.43 77.06 15.00 133 VAL CB 7.86 30.66 78.87 15.00 133 VAL CG1 8.20 29.83 80.07 15.00 133 VAL CG2 6.37 30.65 78.66 15.00 134 ALA N 9.98 32.08 77.21 15.00 134 ALA CA 10.51 32.42 75.89 15.00 134 ALA C 10.71 31.08 75.20 15.00 134 ALA O 10.94 30.09 75.89 15.00 134 ALA CB 11.81 33.16 76.01 15.00 135 ILE N 10.58 31.02 73.88 15.00 135 ILE CA 10.74 29.75 73.17 15.00 135 ILE C 11.25 29.93 71.74 15.00 135 ILE O 11.54 31.04 71.29 15.00 135 ILE CB 9.39 29.00 73.05 15.00 135 ILE CG1 8.32 29.93 72.47 15.00 135 ILE CG2 8.98 28.39 74.37 15.00 135 ILE CD1 7.01 29.26 72.13 15.00 136 ASP N 11.37 28.80 71.04 15.00 136 ASP CA 11.80 28.77 69.65 15.00 136 ASP C 10.54 28.58 68.80 15.00 136 ASP O 10.02 27.47 68.67 15.00 136 ASP CB 12.79 27.62 69.36 15.00 136 ASP CG 13.23 27.57 67.89 15.00 136 ASP OD1 13.18 28.61 67.20 15.00 136 ASP OD2 13.64 26.49 67.41 15.00 137 ALA N 10.05 29.68 68.24 15.00 137 ALA CA 8.87 29.65 67.41 15.00 137 ALA C 9.23 29.70 65.91 15.00 137 ALA O 8.38 30.00 65.07 15.00 137 ALA CB 7.97 30.81 67.79 15.00 138 SER N 10.47 29.35 65.57 15.00 138 SER CA 10.91 29.38 64.18 15.00 138 SER C 10.40 28.27 63.28 15.00 138 SER O 10.47 28.39 62.06 15.00 138 SER CB 12.43 29.40 64.10 15.00 138 SER OG 12.93 30.59 64.68 15.00 139 LEU N 9.85 27.22 63.87 15.00 139 LEU CA 9.36 26.07 63.12 15.00 139 LEU C 8.06 26.32 62.36 15.00 139 LEU O 7.07 26.74 62.94 15.00 139 LEU CB 9.17 24.86 64.04 15.00 139 LEU CG 10.27 24.49 65.02 15.00 139 LEU CD1 11.61 24.35 64.30 15.00 139 LEU CD2 10.33 25.54 66.14 15.00 140 THR N 8.06 26.00 61.06 15.00 140 THR CA 6.87 26.19 60.24 15.00 140 THR C 5.73 25.38 60.86 15.00 140 THR O 4.56 25.75 60.77 15.00 140 THR CB 7.09 25.72 58.78 15.00 140 THR OG1 8.35 26.21 58.30 15.00 140 THR CG2 6.00 26.29 57.88 15.00 141 SER N 6.11 24.29 61.54 15.00 141 SER CA 5.14 23.42 62.20 15.00 141 SER C 4.49 24.13 63.38 15.00 141 SER O 3.32 23.91 63.69 15.00 141 SER CB 5.83 22.12 62.64 15.00 141 SER OG 7.14 22.36 63.15 15.00 142 PHE N 5.25 25.01 64.02 15.00 142 PHE CA 4.74 25.76 65.15 15.00 142 PHE C 3.80 26.83 64.66 15.00 142 PHE O 2.78 27.12 65.30 15.00 142 PHE CB 5.88 26.41 65.94 15.00 142 PHE CG 5.41 27.24 67.09 15.00 142 PHE CD1 5.07 28.58 66.91 15.00 142 PHE CD2 5.31 26.70 68.37 15.00 142 PHE CE1 4.64 29.36 67.97 15.00 142 PHE CE2 4.89 27.47 69.44 15.00 142 PHE CZ 4.55 28.81 69.24 15.00 143 GLN N 4.13 27.43 63.52 15.00 143 GLN CA 3.31 28.49 62.99 15.00 143 GLN C 1.93 28.03 62.57 15.00 143 GLN O 0.95 28.72 62.84 15.00 143 GLN CB 4.05 29.25 61.89 15.00 143 GLN CG 5.12 30.14 62.48 15.00 143 GLN CD 6.22 30.52 61.51 15.00 143 GLN OE1 5.97 31.14 60.47 15.00 143 GLN NE2 7.45 30.19 61.86 15.00 144 PHE N 1.84 26.82 62.00 15.00 144 PHE CA 0.54 26.30 61.57 15.00 144 PHE C −0.14 25.30 62.52 15.00 144 PHE O −1.02 24.53 62.12 15.00 144 PHE CB 0.56 25.79 60.11 15.00 144 PHE CG 1.57 24.68 59.84 15.00 144 PHE CD1 1.63 23.54 60.63 15.00 144 PHE CD2 2.40 24.75 58.73 15.00 144 PHE CE1 2.50 22.49 60.32 15.00 144 PHE CE2 3.27 23.71 58.42 15.00 144 PHE CZ 3.32 22.58 59.22 15.00 145 TYR N 0.27 25.33 63.79 15.00 145 TYR CA −0.30 24.45 64.81 15.00 145 TYR C −1.80 24.73 64.93 15.00 145 TYR O −2.22 25.89 64.92 15.00 145 TYR CB 0.36 24.72 66.17 15.00 145 TYR CG −0.43 24.13 67.33 15.00 145 TYR CD1 −0.28 22.79 67.70 15.00 145 TYR CD2 −1.38 24.90 68.01 15.00 145 TYR CE1 −1.05 22.23 68.70 15.00 145 TYR CE2 −2.15 24.35 69.01 15.00 145 TYR CZ −1.99 23.01 69.35 15.00 145 TYR OH −2.76 22.46 70.34 15.00 146 SER N −2.60 23.68 65.08 15.00 146 SER CA −4.04 23.84 65.20 15.00 146 SER C −4.65 22.98 66.30 15.00 146 SER O −5.72 23.29 66.81 15.00 146 SER CB −4.74 23.59 63.84 15.00 146 SER OG −4.46 22.30 63.31 15.00 147 LYS N −3.96 21.91 66.67 15.00 147 LYS CA −4.48 21.04 67.73 15.00 147 LYS C −3.46 20.00 68.23 15.00 147 LYS O −2.52 19.67 67.51 15.00 147 LYS CB −5.79 20.37 67.27 15.00 147 LYS CG −5.76 19.70 65.88 15.00 147 LYS CD −7.11 19.05 65.50 15.00 147 LYS CE −7.19 18.65 64.01 15.00 147 LYS NZ −7.28 19.82 63.07 15.00 148 GLY N −3.63 19.55 69.48 15.00 148 GLY CA −2.75 18.55 70.07 15.00 148 GLY C −1.56 19.09 70.85 15.00 148 GLY O −1.43 20.29 71.06 15.00 149 VAL N −0.71 18.18 71.31 15.00 149 VAL CA 0.50 18.54 72.07 15.00 149 VAL C 1.66 18.70 71.06 15.00 149 VAL O 2.06 17.74 70.39 15.00 149 VAL CB 0.83 17.46 73.14 15.00 149 VAL CG1 2.06 17.86 73.93 15.00 149 VAL CG2 −0.34 17.26 74.08 15.00 150 TYR N 2.21 19.90 70.99 15.00 150 TYR CA 3.25 20.21 70.03 15.00 150 TYR C 4.60 19.64 70.34 15.00 150 TYR O 5.26 20.08 71.28 15.00 150 TYR CB 3.39 21.72 69.86 15.00 150 TYR CG 4.42 22.11 68.81 15.00 150 TYR CD1 4.39 21.53 67.54 15.00 150 TYR CD2 5.44 23.02 69.11 15.00 150 TYR CE1 5.36 21.85 66.58 15.00 150 TYR CE2 6.41 23.33 68.15 15.00 150 TYR CZ 6.37 22.74 66.90 15.00 150 TYR OH 7.34 23.02 65.97 15.00 151 TYR N 5.03 18.69 69.53 15.00 151 TYR CA 6.35 18.11 69.70 15.00 151 TYR C 7.09 18.15 68.37 15.00 151 TYR O 6.65 17.56 67.39 15.00 151 TYR CB 6.30 16.68 70.20 15.00 151 TYR CG 7.67 16.22 70.63 15.00 151 TYR CD1 8.45 17.02 71.46 15.00 151 TYR CD2 8.20 15.02 70.17 15.00 151 TYR CE1 9.74 16.65 71.82 15.00 151 TYR CE2 9.50 14.63 70.52 15.00 151 TYR CZ 10.26 15.45 71.35 15.00 151 TYR OH 11.55 15.08 71.70 15.00 152 ASP N 8.21 18.85 68.35 15.00 152 ASP CA 8.98 18.96 67.12 15.00 152 ASP C 10.47 18.82 67.44 15.00 152 ASP O 11.08 19.72 68.03 15.00 152 ASP CB 8.70 20.31 66.45 15.00 152 ASP CG 9.22 20.37 65.03 15.00 152 ASP OD1 8.48 19.96 64.12 15.00 152 ASP OD2 10.37 20.82 64.82 15.00 153 GLU N 11.03 17.68 67.05 15.00 153 GLU CA 12.44 17.38 67.31 15.00 153 GLU C 13.40 18.37 66.69 15.00 153 GLU O 14.59 18.34 66.98 15.00 153 GLU CB 12.76 15.94 66.86 15.00 153 GLU CG 12.29 15.56 65.44 15.00 153 GLU CD 13.28 15.95 64.33 15.00 153 GLU OE1 14.38 15.36 64.28 15.00 153 GLU OE2 12.95 16.84 63.50 15.00 154 SER N 12.89 19.26 65.85 15.00 154 SER CA 13.75 20.24 65.20 15.00 154 SER C 13.86 21.54 66.01 15.00 154 SER O 14.71 22.38 65.71 15.00 154 SER CB 13.20 20.54 63.80 15.00 154 SER OG 14.08 21.32 63.02 15.00 155 CYS N 13.02 21.69 67.03 15.00 155 CYS CA 13.01 22.90 67.86 15.00 155 CYS C 14.34 23.17 68.55 15.00 155 CYS O 14.74 22.42 69.45 15.00 155 CYS CB 11.86 22.85 68.87 15.00 155 CYS SG 11.05 24.47 69.10 15.00 156 ASN N 15.02 24.23 68.14 15.00 156 ASN CA 16.33 24.57 68.70 15.00 156 ASN C 16.29 25.23 70.07 15.00 156 ASN O 16.21 26.46 70.19 15.00 156 ASN CB 17.16 25.40 67.73 15.00 156 ASN CG 18.54 25.71 68.28 15.00 156 ASN OD1 18.89 26.86 68.48 15.00 156 ASN ND2 19.32 24.66 68.57 15.00 157 SER N 16.46 24.39 71.09 15.00 157 SER CA 16.46 24.79 72.50 15.00 157 SER C 17.39 25.95 72.87 15.00 157 SER O 17.24 26.54 73.94 15.00 157 SER CB 16.79 23.56 73.34 15.00 157 SER OG 16.11 22.42 72.84 15.00 158 ASP N 18.34 26.27 71.99 15.00 158 ASP CA 19.29 27.35 72.24 15.00 158 ASP C 18.88 28.70 71.64 15.00 158 ASP O 19.31 29.76 72.09 15.00 158 ASP CB 20.69 26.96 71.75 15.00 158 ASP CG 21.57 26.39 72.87 15.00 158 ASP OD1 21.02 25.82 73.85 15.00 158 ASP OD2 22.82 26.53 72.78 15.00 159 ASN N 18.07 28.66 70.59 15.00 159 ASN CA 17.63 29.89 69.97 15.00 159 ASN C 16.22 30.22 70.46 15.00 159 ASN O 15.25 29.58 70.04 15.00 159 ASN CB 17.69 29.76 68.45 15.00 159 ASN CG 16.80 30.75 67.73 15.00 159 ASN OD1 16.93 31.98 67.88 15.00 159 ASN ND2 15.86 30.22 66.96 15.00 160 LEU N 16.13 31.16 71.39 15.00 160 LEU CA 14.83 31.58 71.93 15.00 160 LEU C 14.48 32.83 71.16 15.00 160 LEU O 15.25 33.79 71.14 15.00 160 LEU CB 14.90 31.88 73.44 15.00 160 LEU CG 15.29 30.75 74.43 15.00 160 LEU CD1 15.63 31.34 75.78 15.00 160 LEU CD2 14.20 29.70 74.54 15.00 161 ASN N 13.32 32.82 70.51 15.00 161 ASN CA 12.91 33.94 69.69 15.00 161 ASN C 11.44 34.33 69.76 15.00 161 ASN O 10.94 34.97 68.85 15.00 161 ASN CB 13.25 33.62 68.24 15.00 161 ASN CG 12.59 32.35 67.78 15.00 161 ASN OD1 11.36 32.28 67.67 15.00 161 ASN ND2 13.38 31.31 67.58 15.00 162 HIS N 10.72 33.90 70.78 15.00 162 HIS CA 9.33 34.31 70.87 15.00 162 HIS C 8.84 34.19 72.29 15.00 162 HIS O 8.74 33.09 72.84 15.00 162 HIS CB 8.45 33.51 69.91 15.00 162 HIS CG 7.10 34.12 69.68 15.00 162 HIS ND1 6.93 35.47 69.42 15.00 162 HIS CD2 5.86 33.58 69.66 15.00 162 HIS CE1 5.64 35.72 69.24 15.00 162 HIS NE2 4.97 34.59 69.38 15.00 163 ALA N 8.58 35.35 72.90 15.00 163 ALA CA 8.09 35.40 74.26 15.00 163 ALA C 6.63 34.98 74.30 15.00 163 ALA O 5.78 35.55 73.61 15.00 163 ALA CB 8.27 36.79 74.81 15.00 164 VAL N 6.36 33.96 75.09 15.00 164 VAL CA 5.02 33.43 75.28 15.00 164 VAL C 4.69 33.44 76.78 15.00 164 VAL O 5.54 33.79 77.60 15.00 164 VAL CB 4.95 32.00 74.70 15.00 164 VAL CG1 5.97 31.10 75.37 15.00 164 VAL CG2 3.57 31.44 74.89 15.00 165 LEU N 3.45 33.09 77.15 15.00 165 LEU CA 3.04 33.03 78.55 15.00 165 LEU C 2.46 31.67 78.88 15.00 165 LEU O 1.65 31.15 78.12 15.00 165 LEU CB 1.96 34.09 78.85 15.00 165 LEU CG 1.43 34.18 80.29 15.00 165 LEU CD1 2.39 34.99 81.12 15.00 165 LEU CD2 0.06 34.82 80.33 15.00 166 ALA N 2.87 31.11 80.01 15.00 166 ALA CA 2.35 29.81 80.46 15.00 166 ALA C 1.08 30.09 81.24 15.00 166 ALA O 1.06 30.96 82.11 15.00 166 ALA CB 3.36 29.12 81.34 15.00 167 VAL N 0.02 29.38 80.89 15.00 167 VAL CA −1.29 29.54 81.52 15.00 167 VAL C −1.67 28.28 82.34 15.00 167 VAL O −2.71 28.21 83.00 15.00 167 VAL CB −2.32 29.91 80.40 15.00 167 VAL CG1 −3.67 29.28 80.59 15.00 167 VAL CG2 −2.45 31.41 80.33 15.00 168 GLY N −0.76 27.32 82.38 15.00 168 GLY CA −0.99 26.12 83.13 15.00 168 GLY C −0.16 24.99 82.57 15.00 168 GLY O 0.86 25.22 81.93 15.00 169 TYR N −0.61 23.78 82.81 15.00 169 TYR CA 0.05 22.58 82.33 15.00 169 TYR C −1.02 21.51 82.42 15.00 169 TYR O −2.11 21.76 82.93 15.00 169 TYR CB 1.27 22.22 83.20 15.00 169 TYR CG 1.02 22.11 84.70 15.00 169 TYR CD1 0.52 20.94 85.28 15.00 169 TYR CD2 1.32 23.18 85.56 15.00 169 TYR CE1 0.32 20.84 86.66 15.00 169 TYR CE2 1.12 23.08 86.94 15.00 169 TYR CZ 0.62 21.91 87.48 15.00 169 TYR OH 0.44 21.83 88.85 15.00 170 GLY N −0.71 20.33 81.90 15.00 170 GLY CA −1.65 19.23 81.94 15.00 170 GLY C −1.16 18.11 81.05 15.00 170 GLY O −0.03 18.14 80.54 15.00 171 ILE N −2.04 17.15 80.81 15.00 171 ILE CA −1.78 15.98 79.97 15.00 171 ILE C −2.96 15.87 79.00 15.00 171 ILE O −3.95 16.60 79.14 15.00 171 ILE CB −1.62 14.73 80.86 15.00 171 ILE CG1 −1.47 13.46 80.02 15.00 171 ILE CG2 −2.76 14.65 81.87 15.00 171 ILE CD1 −1.03 12.22 80.81 15.00 172 GLN N −2.86 15.03 77.96 15.00 172 GLN CA −3.97 14.90 77.01 15.00 172 GLN C −4.16 13.50 76.45 15.00 172 GLN O −5.04 12.76 76.88 15.00 172 GLN CB −3.79 15.89 75.87 15.00 172 GLN CG −4.95 15.94 74.92 15.00 172 GLN CD −4.83 17.08 73.95 15.00 172 GLN OE1 −3.81 17.24 73.28 15.00 172 GLN NE2 −5.86 17.91 73.88 15.00 173 LYS N −3.39 13.15 75.44 15.00 173 LYS CA −3.51 11.81 74.89 15.00 173 LYS C −2.36 11.09 75.55 15.00 173 LYS O −1.55 10.43 74.90 15.00 173 LYS CB −3.36 11.82 73.36 15.00 173 LYS CG −4.57 12.39 72.60 15.00 173 LYS CD −5.81 11.53 72.82 15.00 173 LYS CE −7.06 12.17 72.19 15.00 173 LYS NZ −8.35 11.45 72.50 15.00 174 GLY N −2.29 11.24 76.87 15.00 174 GLY CA −1.20 10.64 77.60 15.00 174 GLY C 0.03 11.49 77.36 15.00 174 GLY O 1.17 11.08 77.62 15.00 175 ASN N −0.19 12.72 76.92 15.00 175 ASN CA 0.93 13.59 76.64 15.00 175 ASN C 1.02 14.78 77.57 15.00 175 ASN O 0.07 15.56 77.70 15.00 175 ASN CB 0.88 14.04 75.18 15.00 175 ASN CG 0.72 12.87 74.20 15.00 175 ASN OD1 −0.28 12.77 73.49 15.00 175 ASN ND2 1.71 11.97 74.19 15.00 176 LYS N 2.15 14.88 78.27 15.00 176 LYS CA 2.42 15.97 79.20 15.00 176 LYS C 2.40 17.22 78.34 15.00 176 LYS O 2.76 17.17 77.16 15.00 176 LYS CB 3.83 15.84 79.78 15.00 176 LYS CG 4.38 14.45 79.93 15.00 176 LYS CD 4.27 13.97 81.36 15.00 176 LYS CE 4.98 12.63 81.55 15.00 176 LYS NZ 4.97 12.14 82.96 15.00 177 HIS N 2.01 18.36 78.91 15.00 177 HIS CA 1.99 19.58 78.13 15.00 177 HIS C 1.88 20.86 78.95 15.00 177 HIS O 1.47 20.84 80.12 15.00 177 HIS CB 0.88 19.53 77.06 15.00 177 HIS CG −0.52 19.66 77.59 15.00 177 HIS ND1 −1.43 18.63 77.56 15.00 177 HIS CD2 −1.16 20.71 78.16 15.00 177 HIS CE1 −2.57 19.03 78.08 15.00 177 HIS NE2 −2.44 20.29 78.45 15.00 178 TRP N 2.25 21.96 78.31 15.00 178 TRP CA 2.17 23.29 78.89 15.00 178 TRP C 1.16 24.04 78.03 15.00 178 TRP O 1.20 23.95 76.79 15.00 178 TRP CB 3.52 23.99 78.78 15.00 178 TRP CG 4.66 23.32 79.46 15.00 178 TRP CD1 5.71 22.70 78.87 15.00 178 TRP CD2 4.94 23.34 80.86 15.00 178 TRP NE1 6.65 22.35 79.80 15.00 178 TRP CE2 6.21 22.73 81.03 15.00 178 TRP CE3 4.26 23.83 81.99 15.00 178 TRP CZ2 6.80 22.60 82.29 15.00 178 TRP CZ3 4.85 23.70 83.23 15.00 178 TRP CH2 6.12 23.09 83.38 15.00 179 ILE N 0.22 24.75 78.66 15.00 179 ILE CA −0.79 25.51 77.92 15.00 179 ILE C −0.20 26.89 77.64 15.00 179 ILE O −0.07 27.71 78.54 15.00 179 ILE CB −2.08 25.66 78.74 15.00 179 ILE CG1 −2.67 24.27 79.03 15.00 179 ILE CG2 −3.07 26.56 78.02 15.00 179 ILE CD1 −3.80 24.25 80.04 15.00 180 ILE N 0.21 27.09 76.39 15.00 180 ILE CA 0.83 28.33 75.96 15.00 180 ILE C −0.17 29.28 75.34 15.00 180 ILE O −1.09 28.85 74.65 15.00 180 ILE CB 1.99 28.05 74.99 15.00 180 ILE CG1 3.32 28.14 75.72 15.00 180 ILE CG2 1.97 28.97 73.83 15.00 180 ILE CD1 3.53 27.06 76.73 15.00 181 LYS N 0.00 30.57 75.64 15.00 181 LYS CA −0.85 31.66 75.14 15.00 181 LYS C −0.01 32.55 74.22 15.00 181 LYS O 0.91 33.23 74.68 15.00 181 LYS CB −1.38 32.51 76.30 15.00 181 LYS CG −2.27 33.66 75.84 15.00 181 LYS CD −2.51 34.72 76.91 15.00 181 LYS CE −3.38 35.84 76.37 15.00 181 LYS NZ −3.58 36.94 77.35 15.00 182 ASN N −0.32 32.56 72.93 15.00 182 ASN CA 0.44 33.36 71.97 15.00 182 ASN C −0.18 34.74 71.73 15.00 182 ASN O −1.29 35.00 72.17 15.00 182 ASN CB 0.55 32.59 70.66 15.00 182 ASN CG 1.83 32.87 69.93 15.00 182 ASN OD1 2.41 33.95 70.05 15.00 182 ASN ND2 2.31 31.89 69.17 15.00 183 SER N 0.55 35.64 71.08 15.00 183 SER CA 0.03 36.98 70.82 15.00 183 SER C −0.32 37.19 69.34 15.00 183 SER O −0.25 38.31 68.82 15.00 183 SER CB 1.03 38.04 71.25 15.00 183 SER OG 2.31 37.80 70.69 15.00 184 TRP N −0.74 36.12 68.68 15.00 184 TRP CA −1.05 36.18 67.26 15.00 184 TRP C −2.53 36.23 66.88 15.00 184 TRP O −2.87 36.09 65.71 15.00 184 TRP CB −0.36 35.01 66.55 15.00 184 TRP CG 1.12 35.12 66.54 15.00 184 TRP CD1 1.85 36.23 66.82 15.00 184 TRP CD2 2.05 34.09 66.23 15.00 184 TRP CE1 3.18 35.97 66.69 15.00 184 TRP CE2 3.34 34.66 66.33 15.00 184 TRP CE3 1.94 32.75 65.87 15.00 184 TRP CZ2 4.51 33.92 66.09 15.00 184 TRP CZ3 3.10 32.01 65.63 15.00 184 TRP CH2 4.37 32.60 65.74 15.00 185 GLY N −3.40 36.48 67.85 15.00 185 GLY CA −4.82 36.54 67.56 15.00 185 GLY C −5.46 35.18 67.75 15.00 185 GLY O −4.75 34.16 67.80 15.00 186 GLU N −6.78 35.15 67.86 15.00 186 GLU CA −7.54 33.91 68.07 15.00 186 GLU C −7.53 32.99 66.85 15.00 186 GLU O −7.65 31.78 67.00 15.00 186 GLU CB −8.98 34.24 68.44 15.00 186 GLU CG −9.10 35.32 69.49 15.00 186 GLU CD −10.45 36.03 69.45 15.00 186 GLU OE1 −10.66 36.84 68.51 15.00 186 GLU OE2 −11.29 35.77 70.34 15.00 187 ASN N −7.43 33.58 65.66 15.00 187 ASN CA −7.43 32.78 64.42 15.00 187 ASN C −6.14 31.97 64.30 15.00 187 ASN O −6.07 31.05 63.49 15.00 187 ASN CB −7.64 33.68 63.19 15.00 187 ASN CG −8.60 33.05 62.14 15.00 187 ASN OD1 −8.17 32.52 61.10 15.00 187 ASN ND2 −9.90 33.18 62.38 15.00 188 TRP N −5.12 32.31 65.10 15.00 188 TRP CA −3.87 31.57 65.07 15.00 188 TRP C −4.06 30.34 65.95 15.00 188 TRP O −4.78 30.41 66.95 15.00 188 TRP CB −2.71 32.38 65.64 15.00 188 TRP CG −1.45 31.59 65.56 15.00 188 TRP CD1 −0.68 31.41 64.46 15.00 188 TRP CD2 −0.89 30.74 66.58 15.00 188 TRP NE1 0.30 30.49 64.71 15.00 188 TRP CE2 0.20 30.06 66.00 15.00 188 TRP CE3 −1.21 30.49 67.92 15.00 188 TRP CZ2 0.97 29.14 66.71 15.00 188 TRP CZ3 −0.44 29.57 68.62 15.00 188 TRP CH2 0.64 28.92 68.02 15.00 189 GLY N −3.38 29.25 65.60 15.00 189 GLY CA −3.46 28.02 66.36 15.00 189 GLY C −4.84 27.67 66.87 15.00 189 GLY O −5.86 27.96 66.24 15.00 190 ASN N −4.87 27.07 68.04 15.00 190 ASN CA −6.10 26.65 68.68 15.00 190 ASN C −6.74 27.83 69.39 15.00 190 ASN O −6.67 27.92 70.61 15.00 190 ASN CB −5.76 25.58 69.71 15.00 190 ASN CG −6.97 24.84 70.19 15.00 190 ASN OD1 −8.11 25.26 69.96 15.00 190 ASN ND2 −6.73 23.72 70.87 15.00 191 LYS N −7.33 28.75 68.61 15.00 191 LYS CA −7.97 29.96 69.14 15.00 191 LYS C −7.01 30.82 69.95 15.00 191 LYS O −7.36 31.36 71.00 15.00 191 LYS CB −9.20 29.62 69.99 15.00 191 LYS CG −10.33 28.92 69.26 15.00 191 LYS CD −11.50 28.66 70.20 15.00 191 LYS CE −12.26 27.39 69.82 15.00 191 LYS NZ −11.42 26.16 70.01 15.00 192 GLY N −5.79 30.96 69.45 15.00 192 GLY CA −4.80 31.75 70.13 15.00 192 GLY C −3.88 30.93 70.99 15.00 192 GLY O −2.79 31.39 71.32 15.00 193 TYR N −4.28 29.72 71.35 15.00 193 TYR CA −3.43 28.86 72.18 15.00 193 TYR C −2.80 27.69 71.45 15.00 193 TYR O −3.25 27.27 70.39 15.00 193 TYR CB −4.21 28.31 73.39 15.00 193 TYR CG −4.63 29.36 74.36 15.00 193 TYR CD1 −3.77 29.78 75.37 15.00 193 TYR CD2 −5.85 30.00 74.22 15.00 193 TYR CE1 −4.12 30.82 76.22 15.00 193 TYR CE2 −6.21 31.05 75.06 15.00 193 TYR CZ −5.34 31.45 76.06 15.00 193 TYR OH −5.68 32.50 76.87 15.00 194 ILE N −1.73 27.17 72.05 15.00 194 ILE CA −1.01 26.02 71.53 15.00 194 ILE C −0.53 25.21 72.71 15.00 194 ILE O 0.04 25.75 73.66 15.00 194 ILE CB 0.20 26.40 70.62 15.00 194 ILE CG1 1.05 25.15 70.32 15.00 194 ILE CG2 1.04 27.49 71.24 15.00 194 ILE CD1 2.33 25.42 69.60 15.00 195 LEU N −0.86 23.92 72.69 15.00 195 LEU CA −0.45 23.00 73.73 15.00 195 LEU C 0.90 22.46 73.34 15.00 195 LEU O 0.99 21.68 72.42 15.00 195 LEU CB −1.43 21.83 73.83 15.00 195 LEU CG −2.45 21.90 74.96 15.00 195 LEU CD1 −3.38 23.07 74.76 15.00 195 LEU CD2 −3.23 20.60 74.98 15.00 196 MET N 1.95 22.94 74.01 15.00 196 MET CA 3.31 22.50 73.75 15.00 196 MET C 3.70 21.30 74.64 15.00 196 MET O 2.97 20.96 75.57 15.00 196 MET CB 4.27 23.66 73.96 15.00 196 MET CG 4.16 24.69 72.88 15.00 196 MET SD 5.11 26.17 73.23 15.00 196 MET CE 6.79 25.64 72.90 15.00 197 ALA N 4.85 20.69 74.38 15.00 197 ALA CA 5.27 19.52 75.15 15.00 197 ALA C 5.99 19.75 76.49 15.00 197 ALA O 7.03 20.42 76.57 15.00 197 ALA CB 6.07 18.58 74.28 15.00 198 ARG N 5.43 19.14 77.54 15.00 198 ARG CA 5.99 19.22 78.88 15.00 198 ARG C 6.80 17.96 79.20 15.00 198 ARG O 6.41 16.84 78.86 15.00 198 ARG CB 4.89 19.44 79.92 15.00 198 ARG CG 5.35 19.32 81.39 15.00 198 ARG CD 4.48 20.12 82.35 15.00 198 ARG NE 3.08 19.72 82.36 15.00 198 ARG CZ 2.62 18.64 82.99 15.00 198 ARG NH1 3.46 17.86 83.66 15.00 198 ARG NH2 1.33 18.34 82.95 15.00 199 ASN N 7.96 18.18 79.83 15.00 199 ASN CA 8.87 17.11 80.24 15.00 199 ASN C 9.57 16.30 79.13 15.00 199 ASN O 10.36 15.40 79.43 15.00 199 ASN CB 8.21 16.18 81.28 15.00 199 ASN CG 8.15 16.81 82.68 15.00 199 ASN OD1 7.06 17.06 83.21 15.00 199 ASN ND2 9.31 17.07 83.27 15.00 200 LYS N 9.31 16.63 77.88 15.00 200 LYS CA 9.97 15.94 76.77 15.00 200 LYS C 11.29 16.67 76.54 15.00 200 LYS O 11.54 17.17 75.45 15.00 200 LYS CB 9.11 15.96 75.49 15.00 200 LYS CG 8.09 14.81 75.36 15.00 200 LYS CD 8.32 14.01 74.06 15.00 200 LYS CE 7.22 12.96 73.78 15.00 200 LYS NZ 5.87 13.49 73.41 15.00 201 ASN N 12.13 16.71 77.57 15.00 201 ASN CA 13.42 17.39 77.56 15.00 201 ASN C 13.27 18.81 77.00 15.00 201 ASN O 13.24 18.99 75.80 15.00 201 ASN CB 14.47 16.61 76.74 15.00 201 ASN CG 15.92 17.21 76.86 15.00 201 ASN OD1 16.88 16.46 77.06 15.00 201 ASN ND2 16.06 18.52 76.67 15.00 202 ASN N 13.15 19.80 77.89 15.00 202 ASN CA 13.04 21.22 77.54 15.00 202 ASN C 12.73 21.51 76.05 15.00 202 ASN O 13.56 22.10 75.34 15.00 202 ASN CB 14.35 21.92 77.95 15.00 202 ASN CG 14.13 23.30 78.56 15.00 202 ASN OD1 13.04 23.64 79.00 15.00 202 ASN ND2 15.18 24.09 78.60 15.00 203 ALA N 11.55 21.12 75.59 15.00 203 ALA H 11.67 20.72 76.05 15.00 203 ALA CA 11.15 21.27 74.19 15.00 203 ALA CB 10.97 20.66 73.61 15.00 203 ALA C 11.04 22.76 73.85 15.00 203 ALA O 10.23 23.49 74.41 15.00 204 CYS N 11.83 23.20 72.87 15.00 204 CYS CA 11.81 24.59 72.40 15.00 204 CYS C 12.38 25.57 73.42 15.00 204 CYS O 12.06 26.76 73.36 15.00 204 CYS CB 10.39 25.02 72.00 15.00 204 CYS SG 9.66 24.16 70.56 15.00 205 GLY N 13.21 25.07 74.33 15.00 205 GLY CA 13.84 25.89 75.36 15.00 205 GLY C 12.87 26.70 76.20 15.00 205 GLY O 13.17 27.80 76.64 15.00 206 ILE N 11.72 26.10 76.48 15.00 206 ILE CA 10.67 26.74 77.23 15.00 206 ILE C 11.05 27.11 78.67 15.00 206 ILE O 10.90 28.27 79.08 15.00 206 ILE CB 9.41 25.86 77.17 15.00 206 ILE CG1 8.20 26.58 77.77 15.00 206 ILE CG2 9.69 24.53 77.81 15.00 206 ILE CD1 6.88 25.88 77.49 15.00 207 ALA N 11.62 26.17 79.41 15.00 207 ALA CA 12.03 26.40 80.79 15.00 207 ALA C 13.38 27.11 80.93 15.00 207 ALA O 13.98 27.10 82.01 15.00 207 ALA CB 12.05 25.09 81.54 15.00 208 ASN N 13.84 27.74 79.86 15.00 208 ASN CA 15.12 28.43 79.86 15.00 208 ASN C 15.08 29.92 80.08 15.00 208 ASN O 16.13 30.53 80.28 15.00 208 ASN CB 15.84 28.22 78.54 15.00 208 ASN CG 16.81 27.09 78.60 15.00 208 ASN OD1 16.50 26.04 79.14 15.00 208 ASN ND2 17.99 27.30 78.04 15.00 209 LEU N 13.91 30.54 79.98 15.00 209 LEU CA 13.84 31.98 80.18 15.00 209 LEU C 12.65 32.45 81.02 15.00 209 LEU G 12.23 33.63 80.94 15.00 209 LEU CB 13.89 32.69 78.83 15.00 209 LEU CG 14.33 34.16 78.81 15.00 209 LEU CD1 15.60 34.32 79.63 15.00 209 LEU CD2 14.56 34.61 77.37 15.00 210 ALA N 12.15 31.57 81.87 15.00 210 ALA H 12.50 30.94 81.70 15.00 210 ALA CA 10.99 31.87 82.71 15.00 210 ALA CB 10.41 31.04 83.16 15.00 210 ALA C 11.33 33.00 83.69 15.00 210 ALA O 12.46 33.21 84.13 15.00 211 SER N 10.26 33.74 84.06 15.00 211 SER CA 10.37 34.83 85.02 15.00 211 SER C 8.96 35.33 85.31 15.00 211 SER O 8.09 35.24 84.45 15.00 211 SER CB 11.22 35.98 84.46 15.00 211 SER OG 10.50 36.76 83.53 15.00 212 PHE N 8.72 35.78 86.53 15.00 212 PHE CA 7.42 36.30 86.88 15.00 212 PHE C 7.64 37.49 87.78 15.00 212 PHE O 8.68 37.61 88.42 15.00 212 PHE CB 6.57 35.23 87.56 15.00 212 PHE CG 7.23 34.60 88.75 15.00 212 PHE CD1 7.39 35.31 89.94 15.00 212 PHE CD2 7.68 33.28 88.69 15.00 212 PHE CE1 7.99 34.73 91.05 15.00 212 PHE CE2 8.28 32.68 89.78 15.00 212 PHE CZ 8.44 33.41 90.97 15.00 213 PRO N 6.69 38.43 87.80 15.00 213 PRO CA 6.84 39.62 88.65 15.00 213 PRO C 6.38 39.34 90.09 15.00 213 PRO O 5.56 38.44 90.33 15.00 213 PRO CB 5.93 40.62 87.97 15.00 213 PRO CG 4.79 39.75 87.52 15.00 213 PRO CD 5.47 38.52 86.97 15.00 214 LYS N 6.96 40.05 91.04 15.00 214 LYS CA 6.57 39.89 92.42 15.00 214 LYS C 5.65 41.06 92.68 15.00 214 LYS O 6.12 42.17 92.91 15.00 214 LYS CB 7.78 39.94 93.36 15.00 214 LYS CG 8.68 38.72 93.27 15.00 214 LYS CD 9.78 38.70 94.34 15.00 214 LYS CE 10.67 39.94 94.26 15.00 214 LYS NZ 11.94 39.80 95.03 15.00 215 MET N 4.36 40.85 92.51 15.00 215 MET CA 3.39 41.91 92.77 15.00 215 MET C 2.86 41.71 94.19 15.00 215 MET CB 2.25 41.86 91.76 15.00 215 MET CG 1.06 42.74 92.12 15.00 215 MET SD −0.32 42.54 90.98 15.00 215 MET CE 0.28 43.53 89.53 15.00

TABLE II Table of the orthogonal three dimensional coordinates in Ångstroms and B factors (Å²) for the cathepsin K complex with inhibitor 3(S)-3-[(N- benzyloxycarbonyl)-L-leucinyl]amino-5-methyl-1-(1- propoxy)-2-hexanone. Residue Atom X Y Z B 1 ALA CB −54.11 −32.66 67.34 15.00 1 ALA C −54.02 −32.71 64.82 15.00 1 ALA O −53.62 −33.85 64.58 15.00 1 ALA N −56.02 −33.44 65.99 15.00 1 ALA CA −54.90 −32.46 66.05 15.00 2 PRO N −53.80 −31.67 63.99 15.00 2 PRO CD −54.47 −30.37 64.11 15.00 2 PRO CA −52.98 −31.72 62.76 15.00 2 PRO CB −53.14 −30.31 62.20 15.00 2 PRO CG −54.52 −29.90 62.67 15.00 2 PRO C −51.51 −32.06 62.95 15.00 2 PRO O −50.99 −32.06 64.08 15.00 3 ASP N −50.81 −32.33 61.85 15.00 3 ASP CA −49.39 −32.67 61.91 15.00 3 ASP CB −49.04 −33.71 60.85 15.00 3 ASP CG −49.27 −35.14 61.32 15.00 3 ASP OD1 −48.47 −35.61 62.17 15.00 3 ASP OD2 −50.24 −35.79 60.85 15.00 3 ASP C −48.52 −31.44 61.73 15.00 3 ASP O −47.93 −31.24 60.68 15.00 4 SER N −48.41 −30.64 62.79 15.00 4 SER CA −47.62 −29.41 62.75 15.00 4 SER CB −48.55 −28.25 62.37 15.00 4 SER OG −47.82 −27.08 62.01 15.00 4 SER C −47.01 −29.13 64.12 15.00 4 SER O −47.59 −29.49 65.15 15.00 5 VAL N −45.83 −28.51 64.15 15.00 5 VAL CA −45.19 −28.15 65.41 15.00 5 VAL CB −44.36 −29.31 66.03 15.00 5 VAL CG1 −43.06 −29.53 65.29 15.00 5 VAL CG2 −44.08 −29.04 67.50 15.00 5 VAL C −44.34 −26.88 65.24 15.00 5 VAL O −43.64 −26.69 64.25 15.00 6 ASP N −44.48 −25.96 66.20 15.00 6 ASP CA −43.78 −24.69 66.19 15.00 6 ASP CB −44.75 −23.59 65.74 15.00 6 ASP CG −44.11 −22.19 65.67 15.00 6 ASP OD1 −42.99 −21.99 66.18 15.00 6 ASP OD2 −44.75 −21.27 65.13 15.00 6 ASP C −43.37 −24.47 67.64 15.00 6 ASP O −44.19 −24.09 68.48 15.00 7 TYR N −42.10 −24.68 67.95 15.00 7 TYR CA −41.65 −24.50 69.33 15.00 7 TYR CB −40.30 −25.18 69.53 15.00 7 TYR CG −40.41 −26.69 69.53 15.00 7 TYR CD1 −40.91 −27.37 70.64 15.00 7 TYR CE1 −41.02 −28.74 70.65 15.00 7 TYR CD2 −40.02 −27.43 68.42 15.00 7 TYR CE2 −40.13 −28.80 68.42 15.00 7 TYR CZ −40.63 −29.45 69.53 15.00 7 TYR OH −40.70 −30.82 69.53 15.00 7 TYR C −41.62 −23.07 69.82 15.00 7 TYR O −41.41 −22.81 71.00 15.00 8 ARG N −41.83 −22.12 68.92 15.00 8 ARG CA −41.84 −20.72 69.31 15.00 8 ARG CB −42.00 −19.80 68.09 15.00 8 ARG CG −40.82 −19.80 67.14 15.00 8 ARG CD −41.13 −18.98 65.91 15.00 8 ARG NE −42.05 −19.66 65.00 15.00 8 ARG CZ −42.68 −19.07 64.00 15.00 8 ARG NH1 −42.49 −17.78 63.77 15.00 8 ARG NH2 −43.50 −19.77 63.22 15.00 8 ARG C −43.00 −20.51 70.28 15.00 8 ARG O −42.87 −19.79 71.28 15.00 9 LYS N −44.10 −21.19 70.00 15.00 9 LYS CA −45.30 −21.10 70.82 15.00 9 LYS CB −46.49 −21.67 70.05 15.00 9 LYS CG −46.76 −21.07 68.69 15.00 9 LYS CD −48.04 −21.67 68.14 15.00 9 LYS CE −48.28 −21.36 66.69 15.00 9 LYS NZ −49.49 −22.07 66.19 15.00 9 LYS C −45.20 −21.83 72.16 15.00 9 LYS O −46.13 −21.78 72.97 15.00 10 LYS N −44.10 −22.53 72.40 15.00 10 LYS CA −43.92 −23.27 73.64 15.00 10 LYS CB −43.47 −24.71 73.36 15.00 10 LYS CG −43.75 −25.23 71.96 15.00 10 LYS CD −45.22 −25.49 71.73 15.00 10 LYS CE −45.52 −26.97 71.83 15.00 10 LYS NZ −45.21 −27.50 73.19 15.00 10 LYS C −42.88 −22.63 74.54 15.00 10 LYS O −42.67 −23.06 75.67 15.00 11 GLY N −42.16 −21.63 74.03 15.00 11 GLY CA −41.15 −20.98 74.83 15.00 11 GLY C −39.79 −21.63 74.68 15.00 11 GLY O −38.90 −21.42 75.50 15.00 12 TYR N −39.60 −22.38 73.60 15.00 12 TYR CA −38.34 −23.07 73.36 15.00 12 TYR CB −38.56 −24.39 72.61 15.00 12 TYR CG −39.12 −25.53 73.43 15.00 12 TYR CD1 −40.27 −25.37 74.19 15.00 12 TYR CE1 −40.82 −26.43 74.89 15.00 12 TYR CD2 −38.53 −26.79 73.39 15.00 12 TYR CE2 −39.08 −27.86 74.09 15.00 12 TYR CZ −40.23 −27.67 74.84 15.00 12 TYR OH −40.79 −28.71 75.55 15.00 12 TYR C −37.31 −22.26 72.60 15.00 12 TYR O −36.14 −22.61 72.57 15.00 13 VAL N −37.70 −21.18 71.93 15.00 13 VAL CA −36.72 −20.42 71.18 15.00 13 VAL CB −36.97 −20.48 69.67 15.00 13 VAL CG1 −37.21 −21.91 69.23 15.00 13 VAL CG2 −38.14 −19.62 69.30 15.00 13 VAL C −36.63 −18.98 71.64 15.00 13 VAL O −37.62 −18.38 72.02 15.00 14 THR N −35.41 −18.45 71.65 15.00 14 THR CA −35.16 −17.08 72.07 15.00 14 THR CB −33.75 16.96 72.66 15.00 14 THR OG1 −32.79 −17.40 71.71 15.00 14 THR CG2 −33.63 −17.80 73.91 15.00 14 THR C −35.32 −16.08 70.91 15.00 14 THR O −35.57 −16.48 69.77 15.00 15 PRO N −35.24 −14.77 71.20 15.00 15 PRO CD −35.20 −14.14 72.53 15.00 15 PRO CA −35.37 −13.75 70.15 15.00 15 PRO CB −35.25 −12.44 70.93 15.00 15 PRO CG −35.83 −12.79 72.26 15.00 15 PRO C −34.26 −13.87 69.11 15.00 15 PRO O −33.13 −14.23 69.44 15.00 16 VAL N −34.59 −13.55 67.85 15.00 16 VAL CA −33.64 −13.61 66.75 15.00 16 VAL CB −34.33 −13.31 65.40 15.00 16 VAL CG1 −33.34 −13.41 64.25 15.00 16 VAL CG2 −35.47 −14.26 65.19 15.00 16 VAL C −32.48 −12.65 66.96 15.00 16 VAL O −32.69 −11.49 67.32 15.00 17 LYS N −31.28 −13.13 66.71 15.00 17 LYS CA −30.07 −12.35 66.86 15.00 17 LYS CB −29.12 −13.04 67.84 15.00 17 LYS CG −29.68 −13.07 69.24 15.00 17 LYS CD −28.91 −14.03 70.13 15.00 17 LYS CE −29.54 −14.07 71.53 15.00 17 LYS NZ −31.02 −14.22 71.43 15.00 17 LYS C −29.39 −12.14 65.52 15.00 17 LYS O −29.72 −12.79 64.54 15.00 18 ASN N −28.42 −11.23 65.50 15.00 18 ASN CA −27.68 −10.87 64.29 15.00 18 ASN CB −27.77 −9.36 64.10 15.00 18 ASN CG −27.26 −8.90 62.75 15.00 18 ASN OD1 −26.16 −9.25 62.32 15.00 18 ASN ND2 −28.07 −8.10 62.08 15.00 18 ASN C −26.23 −11.28 64.45 15.00 18 ASN O −25.55 −10.79 65.35 15.00 19 GLN N −25.72 −12.16 63.60 15.00 19 GLN CA −24.33 −12.56 63.73 15.00 19 GLN CB −24.00 −13.81 62.90 15.00 19 GLN CG −24.44 −13.80 61.45 15.00 19 GLN CD −24.06 −15.09 60.72 15.00 19 GLN OE1 −24.91 −15.79 60.16 15.00 19 GLN NE2 −22.77 −15.41 60.71 15.00 19 GLN C −23.40 −11.40 63.39 15.00 19 GLN O −22.27 −11.33 63.88 15.00 20 GLY N −23.91 −10.46 62.60 15.00 20 GLY CA −23.14 −9.30 62.21 15.00 20 GLY C −22.11 −9.67 61.16 15.00 20 GLY O −22.39 −10.50 60.28 15.00 21 GLN N −20.93 −9.08 61.26 15.00 21 GLN CA −19.85 −9.33 60.32 15.00 21 GLN CB −19.08 −8.03 60.01 15.00 21 GLN CG −19.94 −6.78 59.84 15.00 21 GLN CD −20.87 −6.85 58.64 15.00 21 GLN OE1 −20.43 −6.78 57.49 15.00 21 GLN NE2 −22.17 −6.95 58.90 15.00 21 GLN C −18.91 −10.35 60.98 15.00 21 GLN O −17.86 −10.01 61.52 15.00 22 CYS N −19.31 −11.61 60.97 15.00 22 CYS CA −18.53 −12.68 61.58 15.00 22 CYS C −19.27 −13.95 61.19 15.00 22 CYS O −20.48 −14.03 61.36 15.00 22 CYS CB −18.50 −12.50 63.11 15.00 22 CYS SG −17.85 −13.86 64.14 15.00 23 GLY N −18.56 −14.88 60.56 15.00 23 GLY CA −19.19 −16.12 60.13 15.00 23 GLY C −19.43 −17.05 61.30 15.00 23 GLY O −18.94 −18.17 61.31 15.00 24 SER N −20.24 −16.60 62.25 15.00 24 SER CA −20.56 −17.36 63.44 15.00 24 SER CB −20.46 −16.45 64.66 15.00 24 SER OG −21.23 −15.30 64.42 15.00 24 SER C −21.95 −17.97 63.37 15.00 24 SER O −22.54 −18.31 64.40 15.00 25 CYS N −22.49 −18.14 62.17 15.00 25 CYS CA −23.81 −18.74 62.02 15.00 25 CYS CB −24.21 −18.82 60.54 15.00 25 CYS SG −23.17 −19.85 59.47 15.00 25 CYS C −23.88 −20.12 62.68 15.00 25 CYS O −24.96 −20.59 63.04 15.00 25 INH C1 −26.94 −9.70 58.69 15.00 25 INH C2 −26.28 −10.48 59.65 15.00 25 INH C3 −25.12 −11.19 59.30 15.00 25 INH C4 −24.61 −11.12 58.00 15.00 25 INH C5 −25.28 −10.33 57.05 15.00 25 INH C6 −26.44 −9.62 57.39 15.00 25 INH C7 −23.37 −11.90 57.62 15.00 25 INH O8 −23.43 −13.32 57.82 15.00 25 INH C9 −22.85 −14.36 57.02 15.00 25 INH O10 −21.63 −14.58 56.99 15.00 25 INH C11 −23.27 −16.14 55.41 15.00 25 INH C12 −22.06 −15.67 54.58 15.00 25 INH C13 −22.16 −15.18 53.14 15.00 25 INH C14 −20.77 −15.22 52.56 15.00 25 INH C15 −23.13 −16.04 52.32 15.00 25 INH C16 −22.95 −17.51 56.01 15.00 25 INH O17 −23.60 −18.50 55.66 15.00 25 INH N18 −21.92 −17.60 56.86 15.00 25 INH C19 −21.48 −18.89 57.42 15.00 25 INH C20 −20.01 −19.11 57.02 15.00 25 INH C21 −19.59 −19.34 55.56 15.00 25 INH C22 −19.45 −20.84 55.30 15.00 25 INH C23 −18.25 −18.64 55.30 15.00 25 INH N24 −23.71 −15.07 56.30 15.00 25 INH C25 −21.62 −19.06 58.94 15.00 25 INH O26 −21.55 −17.95 59.50 15.00 25 INH C27 −20.53 −20.00 59.45 15.00 25 INH O28 −20.36 −21.26 58.72 15.00 25 INH C29 −19.70 −22.40 59.29 15.00 25 INH C30 −19.53 −23.60 58.35 15.00 25 INH C31 −20.80 −24.42 58.08 15.00 26 TRP N −22.73 −20.75 62.90 15.00 26 TRP CA −22.65 −22.06 63.54 15.00 26 TRP CB −21.30 −22.75 63.25 15.00 26 TRP CG −20.09 −22.04 63.79 15.00 26 TRP CD2 −19.48 −22.23 65.08 15.00 26 TRP CE2 −18.36 −21.38 65.14 15.00 26 TRP CE3 −19.77 −23.04 66.19 15.00 26 TRP CD1 −19.33 −21.11 63.15 15.00 26 TRP NE1 −18.29 −20.70 63.95 15.00 26 TRP CZ2 −17.53 −21.31 66.27 15.00 26 TRP CZ3 −18.94 −22.97 67.31 15.00 26 TRP CH2 −17.83 −22.11 67.33 15.00 26 TRP C −22.89 −22.02 65.06 15.00 26 TRP O −23.59 −22.87 65.61 15.00 27 ALA N −22.34 −21.01 65.75 15.00 27 ALA CA −22.49 −20.86 67.19 15.00 27 ALA CB −21.58 −19.78 67.71 15.00 27 ALA C −23.93 −20.53 67.54 15.00 27 ALA O −24.46 −20.98 68.55 15.00 28 PHE N −24.55 −19.71 66.70 15.00 28 PHE CA −25.93 −19.33 66.91 15.00 28 PHE CB −26.33 −18.21 65.94 15.00 28 PHE CG −25.73 −16.88 66.28 15.00 28 PHE CD1 −24.51 −16.49 65.73 15.00 28 PHE CD2 −26.34 −16.04 67.19 15.00 28 PHE CE1 −23.92 −15.30 66.11 15.00 28 PHE CE2 −25.75 −14.85 67.57 15.00 28 PHE CZ −24.54 −14.48 67.02 15.00 28 PHE C −26.82 −20.55 66.75 15.00 28 PHE O −27.75 −20.75 67.51 15.00 29 SER N −26.49 −21.39 65.78 15.00 29 SER CA −27.25 −22.61 65.53 15.00 29 SER CB −26.69 −23.33 64.31 15.00 29 SER OG −27.48 −24.45 63.98 15.00 29 SER C −27.16 −23.52 66.74 15.00 29 SER O −28.17 −23.93 67.30 15.00 30 SER N −25.92 −23.82 67.14 15.00 30 SER CA −25.63 −24.69 68.27 15.00 30 SER CB −24.13 −24.77 68.46 15.00 30 SER OG −23.51 −24.96 67.22 15.00 30 SER C −26.27 −24.16 69.55 15.00 30 SER O −26.82 −24.92 70.35 15.00 31 VAL N −26.17 −22.85 69.75 15.00 31 VAL CA −26.75 −22.24 70.93 15.00 31 VAL CB −26.25 −20.78 71.09 15.00 31 VAL CG1 −27.32 −19.87 71.63 15.00 31 VAL CG2 −25.06 −20.75 72.01 15.00 31 VAL C −28.27 −22.35 70.84 15.00 31 VAL O −28.94 −22.62 71.82 15.00 32 GLY N −28.80 −22.28 69.63 15.00 32 GLY CA −30.23 −22.39 69.44 15.00 32 GLY C −30.80 −23.73 69.86 15.00 32 GLY O −31.91 −23.80 70.38 15.00 33 ALA N −30.05 −24.80 69.59 15.00 33 ALA CA −30.46 −26.15 69.95 15.00 33 ALA CB −29.65 −27.18 69.17 15.00 33 ALA C −30.28 −26.35 71.44 15.00 33 ALA O −31.16 −26.89 72.11 15.00 34 LEU N −29.14 −25.91 71.97 15.00 34 LEU CA −28.87 −26.01 73.40 15.00 34 LEU CB −27.54 −25.36 73.74 15.00 34 LEU CG −26.26 −26.09 73.37 15.00 34 LEU CD1 −25.09 −25.16 73.59 15.00 34 LEU CD2 −26.10 −27.34 74.21 15.00 34 LEU C −29.98 −25.32 74.18 15.00 34 LEU O −30.45 −25.85 75.18 15.00 35 GLU N −30.43 −24.16 73.69 15.00 35 GLU CA −31.51 −23.39 74.33 15.00 35 GLU CB −31.65 −22.03 73.66 15.00 35 GLU CG −30.44 −21.12 73.81 15.00 35 GLU CD −30.54 −19.82 73.03 15.00 35 GLU OE1 −31.35 −19.71 72.09 15.00 35 GLU OE2 −29.77 −18.91 73.35 15.00 35 GLU C −32.84 −24.12 74.28 15.00 35 GLU O −33.67 −24.00 75.19 15.00 36 GLY N −33.09 −24.86 73.21 15.00 36 GLY CA −34.33 −25.59 73.09 15.00 36 GLY C −34.37 −26.71 74.11 15.00 36 GLY O −35.37 −26.91 74.80 15.00 37 GLN N −33.26 −27.43 74.25 15.00 37 GLN CA −33.18 −28.52 75.20 15.00 37 GLN CB −31.92 −29.34 74.98 15.00 37 GLN CG −31.94 −30.12 73.69 15.00 37 GLN CD −33.17 −31.00 73.57 15.00 37 GLN OE1 −33.42 −31.85 74.43 15.00 37 GLN NE2 −33.95 −30.79 72.53 15.00 37 GLN C −33.24 −28.01 76.63 15.00 37 GLN O −33.97 −28.56 77.47 15.00 38 LEU N −32.52 −26.92 76.89 15.00 38 LEU CA −32.51 −26.31 78.21 15.00 38 LEU CB −31.79 −24.96 78.17 15.00 38 LEU CG −31.83 −24.13 79.46 15.00 38 LEU CD1 −31.00 −24.83 80.53 15.00 38 LEU CD2 −31.30 −22.73 79.20 15.00 38 LEU C −33.94 −26.11 78.69 15.00 38 LEU O −34.30 −26.51 79.79 15.00 39 LYS N −34.77 −25.51 77.85 15.00 39 LYS CA −36.16 −25.26 78.20 15.00 39 LYS CB −36.85 −24.43 77.11 15.00 39 LYS CG −38.06 −23.64 77.59 15.00 39 LYS CD −39.32 −24.48 77.65 15.00 39 LYS CE −40.53 −23.66 78.07 15.00 39 LYS NZ −40.50 −23.27 79.50 15.00 39 LYS C −36.89 −26.59 78.36 15.00 39 LYS O −37.71 −26.75 79.25 15.00 40 LYS N −36.57 −27.57 77.53 15.00 40 LYS CA −37.25 −28.86 77.63 15.00 40 LYS CB −36.85 −29.79 76.48 15.00 40 LYS CG −37.77 −31.00 76.39 15.00 40 LYS CD −37.48 −31.90 75.22 15.00 40 LYS CE −38.53 −32.99 75.17 15.00 40 LYS NZ −38.45 −33.78 73.92 15.00 40 LYS C −36.98 −29.55 78.95 15.00 40 LYS O −37.90 −30.11 79.56 15.00 41 LYS N −35.74 −29.45 79.42 15.00 41 LYS CA −35.35 −30.09 80.66 15.00 41 LYS CB −33.87 −30.48 80.61 15.00 41 LYS CG −33.50 −31.39 79.43 15.00 41 LYS CD −34.48 −32.55 79.32 15.00 41 LYS CE −34.33 −33.33 78.02 15.00 41 LYS NZ −35.59 −34.07 77.73 15.00 41 LYS C −35.67 −29.31 81.94 15.00 41 LYS O −36.36 −29.82 82.81 15.00 42 THR N −35.20 −28.08 82.07 15.00 42 THR CA −35.45 −27.32 83.29 15.00 42 THR CB −34.31 −26.34 83.57 15.00 42 THR OG1 −34.40 −25.23 82.67 15.00 42 THR CG2 −32.98 −27.04 83.36 15.00 42 THR C −36.77 −26.54 83.35 15.00 42 THR O −37.19 −26.11 84.43 15.00 43 GLY N −37.42 −26.34 82.21 15.00 43 GLY CA −38.67 −25.60 82.16 15.00 43 GLY C −38.49 −24.09 82.05 15.00 43 GLY O −39.45 −23.33 81.92 15.00 44 LYS N −37.25 −23.62 82.11 15.00 44 LYS CA −36.99 −22.20 82.03 15.00 44 LYS CB −36.47 −21.70 83.37 15.00 44 LYS CG −37.07 −22.42 84.57 15.00 44 LYS CD −36.69 −21.78 85.90 15.00 44 LYS CE −35.51 −22.46 86.59 15.00 44 LYS NZ −35.95 −23.54 87.52 15.00 44 LYS C −35.98 −21.94 80.92 15.00 44 LYS O −34.92 −22.58 80.87 15.00 45 LEU N −36.32 −21.02 80.04 15.00 45 LEU CA −35.47 −20.64 78.90 15.00 45 LEU CB −36.33 −20.13 77.75 15.00 45 LEU CG −35.67 −19.77 76.42 15.00 45 LEU CD1 −35.27 −21.03 75.66 15.00 45 LEU CD2 −36.67 −18.97 75.62 15.00 45 LEU C −34.47 −19.58 79.29 15.00 45 LEU O −34.68 −18.81 80.22 15.00 46 LEU N −33.38 −19.50 78.54 15.00 46 LEU CA −32.33 −18.54 78.81 15.00 46 LEU CB −31.43 −19.09 79.91 15.00 46 LEU CG −30.45 −18.17 80.63 15.00 46 LEU CD1 −31.17 −16.89 81.03 15.00 46 LEU CD2 −29.91 −18.88 81.84 15.00 46 LEU C −31.55 −18.33 77.51 15.00 46 LEU O −31.62 −19.14 76.60 15.00 47 ASN N −30.84 −17.22 77.39 15.00 47 ASN CA −30.04 −16.97 76.20 15.00 47 ASN CB −30.04 −15.48 75.85 15.00 47 ASN CG −31.37 −15.02 75.33 15.00 47 ASN OD1 −32.19 −14.49 76.08 15.00 47 ASN ND2 −31.59 −15.20 74.05 15.00 47 ASN C −28.62 −17.42 76.46 15.00 47 ASN O −27.96 −16.92 77.37 15.00 48 LEU N −28.15 −18.40 75.69 15.00 48 LEU CA −26.80 −18.91 75.86 15.00 48 LEU CB −26.74 −20.39 75.53 15.00 48 LEU CG −27.64 −21.29 76.40 15.00 48 LEU CD1 −27.37 −22.73 76.07 15.00 48 LEU CD2 −27.39 −21.05 77.86 15.00 48 LEU C −25.79 −18.10 75.06 15.00 48 LEU O −26.16 −17.33 74.17 15.00 49 SER N −24.51 −18.27 75.36 15.00 49 SER CA −23.45 −17.50 74.71 15.00 49 SER CB −22.34 −17.20 75.73 15.00 49 SER OG ‘−21.21 −16.57 75.14 15.00 49 SER C −22.81 −18.05 73.44 15.00 49 SER O −22.00 −18.98 73.49 15.00 50 PRO N −23.17 −17.49 72.28 15.00 50 PRO CD −24.25 −16.53 71.99 15.00 50 PRO CA −22.56 −17.98 71.04 15.00 50 PRO CB −23.40 −17.29 69.95 15.00 50 PRO CG −23.89 −16.05 70.62 15.00 50 PRO C −21.10 −17.55 71.00 15.00 50 PRO O −20.25 −18.21 70.41 15.00 51 GLN N −20.79 −16.45 71.69 15.00 51 GLN CA −19.43 −15.93 71.75 15.00 51 GLN CB −19.40 −14.60 72.52 15.00 51 GLN CG −18.07 −13.86 72.44 15.00 51 GLN CD −17.86 −13.13 71.13 15.00 51 GLN OE1 −18.70 −12.34 70.70 15.00 51 GLN NE2 −16.72 −13.37 70.49 15.00 51 GLN C −18.52 −16.94 72.44 15.00 51 GLN O −17.43 −17.24 71.95 15.00 52 ASN N −18.97 −17.50 73.56 15.00 52 ASN CA −18.21 −18.49 74.31 15.00 52 ASN CB −19.13 −19.10 75.38 15.00 52 ASN CG −18.41 −20.00 76.37 15.00 52 ASN OD1 −18.80 −20.05 77.53 15.00 52 ASN ND2 −17.40 −20.73 75.93 15.00 52 ASN C −17.77 −19.57 73.34 15.00 52 ASN O −16.66 −29.11 73.43 15.00 53 LEU N −18.65 −19.89 72.39 15.00 53 LEU CA −18.37 −20.90 71.39 15.00 53 LEU CB −19.67 −21.37 70.73 15.00 53 LEU CG −20.66 −22.13 71.63 15.00 53 LEU CD1 −21.88 −22.54 70.82 15.00 53 LEU CD2 −20.00 −23.35 72.23 15.00 53 LEU C −17.40 −20.39 70.35 15.00 53 LEU O −16.45 −21.09 69.98 15.00 54 VAL N −17.59 −19.15 69.91 15.00 54 VAL CA −16.73 −18.54 68.89 15.00 54 VAL CB −17.24 −17.11 68.51 15.00 54 VAL CG1 −16.31 −16.45 67.49 15.00 54 VAL CG2 −18.63 −17.19 67.92 15.00 54 VAL C −15.27 −18.47 69.36 15.00 54 VAL O −14.36 −18.89 68.64 15.00 55 ASP N −15.06 −17.98 70.58 15.00 55 ASP CA −13.73 −17.83 71.15 15.00 55 ASP CB −13.78 −16.81 72.29 15.00 55 ASP CG −14.32 −15.46 71.87 15.00 55 ASP OD1 −14.20 −15.10 70.68 15.00 55 ASP OD2 −14.86 −14.76 72.75 15.00 55 ASP C −13.05 −19.09 71.70 15.00 55 ASP O −11.81 −19.13 71.78 15.00 56 CYS N −13.81 −20.12 72.07 15.00 56 CYS CA −13.22 −21.32 72.67 15.00 56 CYS C −13.29 −22.63 71.91 15.00 56 CYS O −12.56 −23.59 72.23 15.00 56 CYS CB −13.83 −21.53 74.05 15.00 56 CYS SG −14.01 −20.02 75.04 15.00 57 VAL N −14.19 −22.77 70.96 15.00 57 VAL CA −14.26 −24.02 70.22 15.00 57 VAL CB −15.60 −24.16 69.48 15.00 57 VAL CG1 −15.62 −25.44 68.67 15.00 57 VAL CG2 −16.73 −24.15 70.48 15.00 57 VAL C −13.09 −24.06 69.25 15.00 57 VAL O −13.23 −23.80 68.06 15.00 58 SER N −11.91 −24.40 69.77 15.00 58 SER CA −10.67 −24.46 69.00 15.00 58 SER CB −9.53 −24.83 69.93 15.00 58 SER OG −10.02 −25.66 70.98 15.00 58 SER C −10.66 −25.38 67.79 15.00 58 SER O −9.70 −25.38 67.02 15.00 59 GLU N −11.70 −26.18 67.64 15.00 59 GLU CA −11.82 −27.10 66.50 15.00 59 GLU CB −12.70 −28.31 66.86 15.00 59 GLU CG −12.16 −29.19 67.99 15.00 59 GLU CD −12.31 −28.56 69.36 15.00 59 GLU OE1 −13.46 −28.38 69.83 15.00 59 GLU OE2 −11.28 −28.23 69.97 15.00 59 GLU C −12.44 −26.34 65.33 15.00 59 GLU O −12.44 −26.81 64.19 15.00 60 ASN N −13.03 −25.19 65.61 15.00 60 ASN CA −13.64 −24.37 64.58 15.00 60 ASN CB −15.08 −23.98 64.97 15.00 60 ASN CG −16.03 −25.16 64.95 15.00 60 ASN OD1 −17.08 −25.12 65.58 15.00 60 ASN ND2 −15.68 −26.20 64.22 15.00 60 ASN C −12.79 −23.12 64.31 15.00 60 ASN O −11.88 −22.80 65.06 15.00 61 ASP N −13.13 −22.40 63.25 15.00 61 ASP CA −12.38 −21.21 62.87 15.00 61 ASP CB −12.30 −21.14 61.34 15.00 61 ASP CG −10.95 −20.64 60.84 15.00 61 ASP OD1 −10.04 −20.40 61.65 15.00 61 ASP OD2 −10.80 −20.50 59.60 15.00 61 ASP C −12.97 −19.91 63.44 15.00 61 ASP O −12.70 −18.83 62.93 15.00 62 GLY N −13.78 −19.99 64.49 15.00 62 GLY CA −14.37 −18.79 65.05 15.00 62 GLY C −15.25 −18.07 64.05 15.00 62 GLY O −16.26 −18.59 63.58 15.00 63 CYS N −14.89 −16.85 63.70 15.00 63 CYS CA −15.67 −16.11 62.72 15.00 63 CYS C −15.48 −16.70 61.33 15.00 63 CYS O −16.15 −16.28 60.39 15.00 63 CYS CB −15.30 −14.62 62.69 15.00 63 CYS SG −15.85 −13.63 64.12 15.00 64 GLY N −14.54 −17.62 61.19 15.00 64 GLY CA −14.29 −18.25 59.90 15.00 64 GLY C −15.24 −19.41 59.67 15.00 64 GLY O −15.32 −19.97 58.57 15.00 65 GLY N −15.97 −19.80 60.70 15.00 65 GLY CA −16.91 −20.91 60.56 15.00 65 GLY C −16.55 −22.16 61.33 15.00 65 GLY O −15.46 −22.30 61.90 15.00 66 GLY N −17.47 −23.10 61.38 15.00 66 GLY CA −17.25 −24.34 62.07 15.00 66 GLY C −18.51 −25.15 61.93 15.00 66 GLY O −19.46 −24.72 61.29 15.00 67 TYR N −18.50 −26.35 62.49 15.00 67 TYR CA −19.66 −27.22 62.44 15.00 67 TYR CB −19.25 −28.66 62.13 15.00 67 TYR CG −18.41 −28.83 60.89 15.00 67 TYR CD1 −19.00 −29.00 59.64 15.00 67 TYR CE1 −18.22 −29.18 58.51 15.00 67 TYR CD2 −17.03 −28.83 60.98 15.00 67 TYR CE2 −16.25 −29.01 59.86 15.00 67 TYR CZ −16.84 −29.18 58.63 15.00 67 TYR OH −16.03 −29.34 57.52 15.00 67 TYR C −20.27 −27.16 63.83 15.00 67 TYR O −19.59 −26.85 64.80 15.00 68 MET N −21.55 −27.48 63.93 15.00 68 MET CA −22.24 −27.45 65.20 15.00 68 MET CB −23.75 −27.51 65.00 15.00 68 MET CG −24.34 −26.31 64.22 15.00 68 MET SD −23.95 −26.25 62.46 15.00 68 MET CE −25.40 −26.96 61.77 15.00 68 MET C −21.76 −28.58 66.11 15.00 68 MET O −21.49 −28.37 67.29 15.00 69 THR N −21.57 −29.78 65.56 15.00 69 THR CA −21.13 −30.94 66.33 15.00 69 THR CB −20.92 −32.18 65.44 15.00 69 THR OG1 −20.10 −31.83 64.31 15.00 69 THR CG2 −22.26 −32.69 64.93 15.00 69 THR C −19.85 −30.65 67.12 15.00 69 THR O −19.69 −31.11 68.26 15.00 70 ASN N −18.95 −29.84 66.55 15.00 70 ASN CA −17.71 −29.46 67.22 15.00 70 ASN CB −16.73 −28.81 66.24 15.00 70 ASN CG −15.97 −29.81 65.39 15.00 70 ASN OD1 −15.41 −29.45 64.37 15.00 70 ASN ND2 −15.92 −31.06 65.83 15.00 70 ASN C −17.96 −28.52 68.39 15.00 70 ASN O −17.14 −28.42 69.30 15.00 71 ALA N −19.06 −27.78 68.35 15.00 71 ALA CA −19.42 −26.86 69.44 15.00 71 ALA CB −20.32 −25.76 68.92 15.00 71 ALA C −20.12 −27.66 70.53 15.00 71 ALA O −19.94 −27.42 71.73 15.00 72 PHE N −20.96 −28.60 70.13 15.00 72 PHE CA −21.67 −29.44 71.08 15.00 72 PHE CB −22.56 −30.44 70.34 15.00 72 PHE CG −23.74 −29.82 69.63 15.00 72 PHE CD1 −24.33 −28.66 70.11 15.00 72 PHE CD2 −24.27 −30.43 68.50 15.00 72 PHE CE1 −25.45 −28.12 69.48 15.00 72 PHE CE2 −25.39 −29.90 67.87 15.00 72 PHE CZ −25.98 −28.74 68.35 15.00 72 PHE C −20.60 −30.19 71.89 15.00 72 PHE O −20.60 −30.15 73.12 15.00 73 GLN N −19.64 −30.81 71.21 15.00 73 GLN CA −18.58 −31.56 71.87 15.00 73 GLN CB −17.64 −32.18 70.82 15.00 73 GLN CG −16.55 −33.13 71.36 15.00 73 GLN CD −17.07 −34.54 71.69 15.00 73 GLN OE1 −17.16 −34.93 72.87 15.00 73 GLN NE2 −17.37 −35.32 70.65 15.00 73 GLN C −17.81 −30.69 72.87 15.00 73 GLN O −17.46 −31.13 73.96 15.00 74 TYR N −17.55 −29.43 72.53 15.00 74 TYR CA −16.82 −28.56 73.44 15.00 74 TYR CB −16.43 −27.25 72.75 15.00 74 TYR CG −16.11 −26.12 73.70 15.00 74 TYR CD1 −14.83 −25.93 74.20 15.00 74 TYR CE1 −14.54 −24.93 75.11 15.00 74 TYR CD2 −17.11 −25.25 74.14 15.00 74 TYR CE2 −16.84 −24.23 75.06 15.00 74 TYR CZ −15.55 −24.08 75.53 15.00 74 TYR OH −15.28 −23.08 76.45 15.00 74 TYR C −17.62 −28.25 74.70 15.00 74 TYR O −17.05 −28.00 75.76 15.00 75 VAL N −18.94 −28.18 74.59 15.00 75 VAL CA −19.77 −27.89 75.75 15.00 75 VAL CB −21.21 −27.54 75.33 15.00 75 VAL CG1 −22.04 −27.14 76.54 15.00 75 VAL CG2 −21.20 −26.39 74.33 15.00 75 VAL C −19.74 −29.11 76.68 15.00 75 VAL O −19.87 −28.99 77.90 15.00 76 GLN N −19.50 −30.29 76.09 15.00 76 GLN CA −19.43 −31.54 76.84 15.00 76 GLN CB −19.51 −32.72 75.88 15.00 76 GLN CG −19.44 −34.10 76.53 15.00 76 GLN CD −19.41 −35.21 75.50 15.00 76 GLN OE1 −20.45 −35.67 75.05 15.00 76 GLN NE2 −18.23 −35.64 75.12 15.00 76 GLN C −18.15 −31.64 77.66 15.00 76 GLN O −18.20 −31.71 78.89 15.00 77 LYS N −17.00 −31.64 77.00 15.00 77 LYS CA −15.72 −31.75 77.70 15.00 77 LYS CB −14.60 −32.13 76.73 15.00 77 LYS CG −14.72 −31.53 75.36 15.00 77 LYS CD −13.52 −31.92 74.50 15.00 77 LYS CE −13.77 −31.61 73.03 15.00 77 LYS NZ −14.25 −30.21 72.83 15.00 77 LYS C −15.29 −30.55 78.56 15.00 77 LYS O −14.36 −30.63 79.36 15.00 78 ASN N −15.94 −29.41 78.38 15.00 78 ASN CA −15.62 −28.22 79.15 15.00 78 ASN CB −15.75 −26.98 78.27 15.00 78 ASN CG −15.54 −25.69 79.03 15.00 78 ASN OD1 −14.43 −25.40 79.46 15.00 78 ASN ND2 −16.60 −24.91 79.16 15.00 78 ASN C −16.60 −28.14 80.32 15.00 78 ASN O −16.47 −27.32 81.22 15.00 79 ARG N −17.60 −29.01 80.27 15.00 79 ARG CA −18.63 −29.08 81.29 15.00 79 ARG CB −18.06 −29.64 82.60 15.00 79 ARG CG −17.45 −31.04 82.42 15.00 79 ARG CD −17.13 −31.71 83.75 15.00 79 ARG NE −18.34 −32.20 84.40 15.00 79 ARG CZ −18.91 −33.37 84.15 15.00 79 ARG NH1 −18.36 −34.20 83.26 15.00 79 ARG NH2 −20.05 −33.70 84.75 15.00 79 ARG C −19.36 −27.77 81.50 15.00 79 ARG O −19.57 −27.33 82.64 15.00 80 GLY N −19.75 −27.14 80.39 15.00 80 GLY CA −20.48 −25.89 80.49 15.00 80 GLY C −20.34 −24.84 79.40 15.00 80 GLY O −19.34 −24.78 78.67 15.00 81 ILE N −21.39 −24.02 79.30 15.00 81 ILE CA −21.46 −22.91 78.36 15.00 81 ILE CB −22.22 −23.28 77.05 15.00 81 ILE CG2 −23.65 −23.63 77.33 15.00 81 ILE CG1 −22.16 −22.09 76.08 15.00 81 ILE CD1 −22.80 −22.35 74.75 15.00 81 ILE C −22.15 −21.75 79.07 15.00 81 ILE O −23.20 −21.93 79.71 15.00 82 ASP N −21.51 −20.59 79.03 15.00 82 ASP CA −22.01 −19.37 79.65 15.00 82 ASP CB −20.99 −18.24 79.46 15.00 82 ASP CG −19.78 −18.37 80.35 15.00 82 ASP OD1 −18.71 −17.88 79.95 15.00 82 ASP OD2 −19.91 −18.93 81.47 15.00 82 ASP C −23.36 −18.86 79.13 15.00 82 ASP O −23.86 −19.29 78.09 15.00 83 SER N −23.91 −17.90 79.86 15.00 83 SER CA −25.16 −17.25 79.50 15.00 83 SER CB −25.99 −16.98 80.76 15.00 83 SER OG −25.21 −16.38 81.78 15.00 83 SER C −24.75 −15.93 78.85 15.00 83 SER O −23.63 −15.45 79.05 15.00 84 GLU N −25.64 −15.33 78.07 15.00 84 GLU CA −25.32 −14.09 77.39 15.00 84 GLU CB −26.48 −13.65 76.52 15.00 84 GLU CG −26.16 −12.52 75.57 15.00 84 GLU CD −25.34 −12.95 74.38 15.00 84 GLU OE1 −24.85 −14.10 74.35 15.00 84 GLU OE2 −25.19 −12.13 73.45 15.00 84 GLU C −24.88 −12.96 78.31 15.00 84 GLU O −24.03 −12.14 77.94 15.00 85 ASP N −25.44 −12.87 79.52 15.00 85 ASP CA −25.03 −11.81 80.45 15.00 85 ASP CB −25.92 −11.77 81.71 15.00 85 ASP CG −25.48 −10.69 82.73 15.00 85 ASP OD1 −24.60 −9.85 82.41 15.00 85 ASP OD2 −26.00 −10.66 83.87 15.00 85 ASP C −23.59 −12.02 80.86 15.00 85 ASP O −22.83 −11.07 81.00 15.00 86 ALA N −23.18 −13.27 81.05 15.00 86 ALA CA −21.82 −13.56 81.47 15.00 86 ALA CB −21.76 −14.91 82.14 15.00 86 ALA C −20.78 −13.48 80.36 15.00 86 ALA O −19.62 −13.15 80.59 15.00 87 TYR N −21.18 −13.74 79.12 15.00 87 TYR CA −20.23 −13.71 78.02 15.00 87 TYR CB −19.79 −15.15 77.74 15.00 87 TYR CG −18.44 −15.33 77.08 15.00 87 TYR CD1 −17.91 −14.37 76.21 15.00 87 TYR CE1 −16.69 −14.59 75.57 15.00 87 TYR CD2 −17.72 −16.51 77.28 15.00 87 TYR CE2 −16.50 −16.73 76.64 15.00 87 TYR CZ −16.00 −15.77 75.79 15.00 87 TYR OH −14.79 −16.02 75.16 15.00 87 TYR C −20.92 −13.13 76.79 15.00 87 TYR O −21.26 −13.88 75.86 15.00 88 PRO N −21.19 −11.80 76.79 15.00 88 PRO CD −21.02 −10.93 77.96 15.00 88 PRO CA −21.85 −11.07 75.70 15.00 88 PRO CB −21.91 −9.64 76.23 15.00 88 PRO CG −22.06 −9.86 77.72 15.00 88 PRO C −21.13 −11.13 74.36 15.00 88 PRO O −19.90 −11.11 74.31 15.00 89 TYR N −21.93 −11.18 73.31 15.00 89 TYR CA −21.47 −11.28 71.92 15.00 89 TYR CB −22.64 −11.80 71.09 15.00 89 TYR CG −22.28 −12.14 69.68 15.00 89 TYR CD1 −21.43 −13.20 69.39 15.00 89 TYR CE1 −21.07 −13.48 68.09 15.00 89 TYR CD2 −22.75 −11.36 68.63 15.00 89 TYR CE2 −22.39 −11.63 67.32 15.00 89 TYR CZ −21.55 −12.69 67.06 15.00 89 TYR OH −21.15 −12.93 65.77 15.00 89 TYR C −20.94 −9.96 71.34 15.00 89 TYR O −21.71 −9.04 71.08 15.00 90 VAL N −19.64 −9.86 71.12 15.00 90 VAL CA −19.06 −8.63 70.58 15.00 90 VAL CB −17.75 −8.27 71.27 15.00 90 VAL CG1 −17.98 −8.12 72.76 15.00 90 VAL CG2 −16.69 −9.32 70.99 15.00 90 VAL C −18.87 −8.65 69.07 15.00 90 VAL O −18.28 −7.74 68.50 15.00 91 GLY N −19.30 −9.73 68.44 15.00 91 GLY CA −19.20 −9.84 67.00 15.00 91 GLY C −17.86 −10.11 66.36 15.00 91 GLY O −17.67 −9.84 65.18 15.00 92 GLN N −16.91 −10.66 67.11 15.00 92 GLN CA −15.59 −10.97 66.57 15.00 92 GLN CB −14.80 −9.69 66.32 15.00 92 GLN CG −14.73 −8.76 67.51 15.00 92 GLN CD −13.95 −7.50 67.19 15.00 92 GLN OE1 −12.73 −7.54 67.06 15.00 92 GLN NE2 −14.65 −6.38 67.02 15.00 92 GLN C −14.83 −11.87 67.53 15.00 92 GLN O −15.17 −11.94 68.71 15.00 93 GLU N −13.80 −12.53 67.04 15.00 93 GLU CA −13.02 −13.45 67.85 15.00 93 GLU CB −12.36 −14.52 66.98 15.00 93 GLU CG −11.54 −13.97 65.80 15.00 93 GLU CD −11.57 −14.90 64.59 15.00 93 GLU OE1 −10.51 −15.16 63.98 15.00 93 GLU OE2 −12.67 −15.36 64.22 15.00 93 GLU C −11.99 −12.78 68.74 15.00 93 GLU O −11.29 −11.86 68.33 15.00 94 GLU N −11.89 −13.29 69.97 15.00 94 GLU CA −10.96 −12.78 70.96 15.00 94 GLU CB −11.65 −11.74 71.84 15.00 94 GLU CG −12.68 −12.34 72.79 15.00 94 GLU CD −13.96 −11.54 72.88 15.00 94 GLU OE1 −13.96 −10.36 72.44 15.00 94 GLU OE2 −14.97 −12.08 73.38 15.00 94 GLU C −10.54 −13.98 71.82 15.00 94 GLU O −10.95 −15.10 71.55 15.00 95 SER N −9.72 −13.74 72.84 15.00 95 SER CA −9.26 −14.80 73.73 15.00 95 SER CB −8.26 −14.23 74.75 15.00 95 SER OG −7.14 −13.65 74.09 15.00 95 SER C −10.41 −15.51 74.46 15.00 95 SER O −11.34 −14.87 74.95 15.00 96 CYS N −10.37 −16.84 74.53 15.00 96 CYS CA −11.44 −17.57 75.21 15.00 96 CYS C −11.55 −17.03 76.62 15.00 96 CYS O −10.58 −17.04 77.37 15.00 96 CYS CB −11.13 −19.06 75.26 15.00 96 CYS SG −12.35 −20.02 76.20 15.00 97 MET N −12.72 −16.51 76.97 15.00 97 MET CA −12.95 −15.95 78.31 15.00 97 MET CB −13.50 −14.53 78.21 15.00 97 MET CG −12.65 −13.51 77.52 15.00 97 MET SD −13.49 −11.94 77.83 15.00 97 MET CE −14.95 −12.05 76.75 15.00 97 MET C −13.95 −16.74 79.15 15.00 97 MET O −14.60 −16.15 80.02 15.00 98 TYR N −14.08 −18.05 78.94 15.00 98 TYR CA −15.05 −18.82 79.70 15.00 98 TYR CB −14.89 −20.33 79.47 15.00 98 TYR CG −15.95 −21.14 80.19 15.00 98 TYR CD1 −17.30 −21.01 79.88 15.00 98 TYR CE1 −18.28 −21.71 80.58 15.00 98 TYR CD2 −15.61 −22.00 81.23 15.00 98 TYR CE2 −16.58 −22.70 81.94 15.00 98 TYR CZ −17.91 −22.55 81.62 15.00 98 TYR OH −18.86 −23.22 82.33 15.00 98 TYR C −14.99 −18.51 81.20 15.00 98 TYR O −13.92 −18.32 81.77 15.00 99 ASN N −16.16 −18.49 81.82 15.00 99 ASN CA −16.30 −18.18 83.23 15.00 99 ASN CB −16.73 −16.72 83.37 15.00 99 ASN CG −17.06 −16.32 84.81 15.00 99 ASN OD1 −16.96 −17.13 85.74 15.00 99 ASN ND2 −17.47 −15.06 84.98 15.00 99 ASN C −17.34 −19.10 83.86 15.00 99 ASN O −18.55 −18.87 83.72 15.00 100 PRO N −16.89 −20.13 84.60 15.00 100 PRO CD −15.46 −20.39 84.86 15.00 100 PRO CA −17.73 −21.12 85.29 15.00 100 PRO CB −16.74 −21.80 86.22 15.00 100 PRO CG −15.49 −21.81 85.41 15.00 100 PRO C −18.84 −20.46 86.07 15.00 100 PRO O −19.93 −21.02 86.20 15.00 101 THR N −18.58 −19.26 86.58 15.00 101 THR CA −19.58 −18.53 87.34 15.00 101 THR CB −18.99 −17.20 87.84 15.00 101 THR OG1 −17.76 −17.48 88.53 15.00 101 THR CG2 −19.95 −16.50 88.80 15.00 101 THR C −20.78 −18.25 86.46 15.00 101 THR O −21.93 −18.29 86.93 15.00 102 GLY N −20.52 −17.99 85.18 15.00 102 GLY CA −21.57 −17.69 84.23 15.00 102 GLY C −22.29 −18.89 83.62 15.00 102 GLY O −23.36 −18.73 83.04 15.00 103 LYS N −21.70 −20.07 83.72 15.00 103 LYS CA −22.30 −21.29 83.17 15.00 103 LYS CB −21.60 −22.52 83.76 15.00 103 LYS CG −22.34 −23.84 83.55 15.00 103 LYS CD −21.59 −24.99 84.23 15.00 103 LYS CE −22.56 −26.02 84.79 15.00 103 LYS NZ −23.48 −26.58 83.76 15.00 103 LYS C −23.81 −21.37 83.41 15.00 103 LYS O −24.27 −21.24 84.54 15.00 104 ALA N −24.58 −21.60 82.35 15.00 104 ALA CA −26.04 −21.70 82.45 15.00 104 ALA CB −26.69 −20.52 81.78 15.00 104 ALA C −26.60 −22.99 81.88 15.00 104 ALA O −27.76 −23.32 82.12 15.00 105 ALA N −25.81 −23.71 81.09 15.00 105 ALA CA −26.26 −24.97 80.50 15.00 105 ALA CB −26.99 −24.72 79.19 15.00 105 ALA C −25.10 −25.92 80.28 15.00 105 ALA O −23.93 −25.52 80.38 15.00 106 LYS N −25.41 −27.18 79.98 15.00 106 LYS CA −24.40 −28.19 79.72 15.00 106 LYS CB −23.77 −28.66 81.03 15.00 106 LYS CG −24.73 −29.25 82.04 15.00 106 LYS CD −24.01 −29.56 83.33 15.00 106 LYS CE −22.75 −30.37 83.07 15.00 106 LYS NZ −23.05 −31.63 82.31 15.00 106 LYS C −25.06 −29.34 78.99 15.00 106 LYS O −26.28 −29.39 78.94 15.00 107 CYS N −24.27 −30.21 78.38 15.00 107 CYS CA −24.83 −31.36 77.65 15.00 107 CYS CB −25.14 −30.97 76.20 15.00 107 CYS SG −23.71 −31.01 75.11 15.00 107 CYS C −23.95 −32.61 77.67 15.00 107 CYS O −22.73 −32.53 77.81 15.00 108 ARG N −24.59 −33.76 77.53 15.00 108 ARG CA −23.92 −35.05 77.54 15.00 108 ARG CB −24.66 −36.03 78.46 15.00 108 ARG CG −26.18 −35.81 78.55 15.00 108 ARG CD −26.93 −37.01 79.17 15.00 108 ARG NE −27.06 −38.15 78.25 15.00 108 ARG CZ −28.19 −38.49 77.62 15.00 108 ARG NH1 −29.31 −37.79 77.80 15.00 108 ARG NH2 −28.22 −39.56 76.84 15.00 108 ARG C −23.70 −35.67 76.15 15.00 108 ARG O −23.77 −36.88 75.98 15.00 109 GLY N −23.44 −34.83 75.16 15.00 109 GLY CA −23.19 −35.32 73.82 15.00 109 GLY C −24.08 −34.73 72.75 15.00 109 GLY O −24.72 −33.69 72.94 15.00 110 TYR N −24.15 −35.41 71.61 15.00 110 TYR CA −24.97 −34.95 70.50 15.00 110 TYR CB −24.19 −33.91 69.71 15.00 110 TYR CG −22.97 −34.46 68.99 15.00 110 TYR CD1 −21.71 −34.43 69.59 15.00 110 TYR CE1 −20.59 −34.90 68.91 15.00 110 TYR CD2 −23.07 −34.99 67.71 15.00 110 TYR CE2 −21.97 −35.45 67.03 15.00 110 TYR CZ −20.73 −35.40 67.63 15.00 110 TYR OH −19.63 −35.82 66.93 15.00 110 TYR C −25.31 −36.11 69.57 15.00 110 TYR O −24.61 −37.12 69.54 15.00 111 ARG N −26.35 −35.94 68.76 15.00 111 ARG CA −26.74 −36.97 67.82 15.00 111 ARG CB −28.02 −37.68 68.29 15.00 111 ARG CG −27.87 −38.44 69.61 15.00 111 ARG CD −29.17 −39.16 70.00 15.00 111 ARG NE −29.49 −40.25 69.07 15.00 111 ARG CZ −28.84 −41.41 69.03 15.00 111 ARG NH1 −29.20 −42.34 68.14 15.00 111 ARG NH2 −27.85 −41.65 69.88 15.00 111 ARG C −27.00 −36.34 66.45 15.00 111 ARG O −27.71 −35.34 66.34 15.00 112 GLU N −26.39 −36.90 65.42 15.00 112 GLU CA −26.57 −36.42 64.06 15.00 112 GLU CB −25.27 −36.56 63.27 15.00 112 GLU CG −24.17 −35.62 63.74 15.00 112 GLU CD −22.80 −35.91 63.12 15.00 112 GLU OE1 −22.22 −34.99 62.47 15.00 112 GLU OE2 −22.29 −37.05 63.30 15.00 112 GLU C −27.68 −37.26 63.45 15.00 112 GLU O −27.84 −38.43 63.80 15.00 113 ILE N −28.50 −36.63 62.61 15.00 113 ILE CA −29.60 −37.28 61.90 15.00 113 ILE CB −30.69 −36.23 61.48 15.00 113 ILE CG2 −31.45 −36.68 60.25 15.00 113 ILE CG1 −31.68 −35.99 62.62 15.00 113 ILE CD1 −31.14 −35.16 63.73 15.00 113 ILE C −29.00 −37.94 60.66 15.00 113 ILE O −28.03 −37.44 60.10 15.00 114 PRO N −29.54 −39.09 60.23 15.00 114 PRO CD −30.62 −39.89 60.83 15.00 114 PRO CA −29.00 −39.75 59.04 15.00 114 PRO CB −30.00 −40.89 58.81 15.00 114 PRO CG −30.41 −41.24 60.19 15.00 114 PRO C −28.97 −38.80 57.86 15.00 114 PRO O −29.98 −38.20 57.52 15.00 115 GLU N −27.80 −38.73 57.22 15.00 115 GLU CA −27.56 −37.86 56.07 15.00 115 GLU CB −26.14 −38.07 55.52 15.00 115 GLU CG −25.92 −37.52 54.10 15.00 115 GLU CD −24.48 −37.06 53.82 15.00 115 GLU OE1 −23.52 −37.73 54.28 15.00 115 GLU OE2 −24.30 −36.02 53.15 15.00 115 GLU C −28.55 −38.00 54.93 15.00 115 GLU O −28.57 −39.02 54.26 15.00 116 GLY N −29.31 −36.94 54.69 15.00 116 GLY CA −30.27 −36.94 53.60 15.00 116 GLY C −31.66 −37.41 53.97 15.00 116 GLY O −32.57 −37.40 53.14 15.00 117 ASN N −31.86 −37.78 55.24 15.00 117 ASN CA −33.15 −38.29 55.69 15.00 117 ASN CB −32.94 −39.38 56.73 15.00 117 ASN CG −34.19 −40.18 56.99 15.00 117 ASN OD1 −35.32 −39.68 56.89 15.00 117 ASN ND2 −34.00 −41.46 57.33 15.00 117 ASN C −34.07 −37.22 56.27 15.00 117 ASN O −33.93 −36.82 57.43 15.00 118 GLU N −35.06 −36.79 55.50 15.00 118 GLU CA −35.97 −35.78 55.99 15.00 118 GLU CB −36.70 −35.07 54.85 15.00 118 GLU CG −36.04 −33.77 54.42 15.00 118 GLU CD −36.91 −32.99 53.45 15.00 118 GLU OE1 −36.81 −33.22 52.23 15.00 118 GLU OE2 −37.72 −32.15 53.91 15.00 118 GLU C −36.97 −36.33 56.98 15.00 118 GLU O −37.46 −35.59 57.83 15.00 119 LYS N −37.32 −37.61 56.90 15.00 119 LYS CA −38.27 −38.14 57.87 15.00 119 LYS CB −38.85 −39.49 57.42 15.00 119 LYS CG −40.19 −39.34 56.68 15.00 119 LYS CD −40.08 −38.40 55.47 15.00 119 LYS CE −41.47 −38.06 54.90 15.00 119 LYS NZ −42.26 −37.19 55.83 15.00 119 LYS C −37.62 −38.24 59.24 15.00 119 LYS O −38.23 −37.90 60.26 15.00 120 ALA N −36.35 −38.62 59.28 15.00 120 ALA CA −35.63 −38.70 60.54 15.00 120 ALA CB −34.25 −39.25 60.33 15.00 120 ALA C −35.55 −37.30 61.16 15.00 120 ALA O −35.58 −37.15 62.38 15.00 121 LEU N −35.45 −36.27 60.32 15.00 121 LEU CA −35.38 −34.89 60.82 15.00 121 LEU CB −34.93 −33.91 59.73 15.00 121 LEU CG −34.80 −32.45 60.19 15.00 121 LEU CD1 −33.77 −32.34 61.30 15.00 121 LEU CD2 −34.42 −31.56 59.03 15.00 121 LEU C −36.74 −34.48 61.36 15.00 121 LEU O −36.83 −33.80 62.38 15.00 122 LYS N −37.79 −34.89 60.66 15.00 122 LYS CA −39.16 −34.58 61.05 15.00 122 LYS CB −40.14 −35.19 60.07 15.00 122 LYS CG −41.57 −34.80 60.31 15.00 122 LYS CD −42.49 −35.45 59.32 15.00 122 LYS CE −43.95 −35.16 59.67 15.00 122 LYS NZ −44.88 −35.66 58.60 15.00 122 LYS C −39.41 −35.15 62.44 15.00 122 LYS O −39.87 −34.44 63.33 15.00 123 ARG N −39.12 −36.44 62.62 15.00 123 ARG CA −39.29 −37.10 63.90 15.00 123 ARG CB −38.84 −38.58 63.84 15.00 123 ARG CG −39.74 −39.50 62.99 15.00 123 ARG CD −39.33 −40.97 63.13 15.00 123 ARG NE −37.95 −41.22 62.73 15.00 123 ARG CZ −37.42 −42.43 62.51 15.00 123 ARG NH1 −38.15 −43.53 62.66 15.00 123 ARG NH2 −36.17 −42.53 62.08 15.00 123 ARG C −38.46 −36.37 64.94 15.00 123 ARG O −39.01 −35.82 65.89 15.00 124 ALA N −37.15 −36.31 64.71 15.00 124 ALA CA −36.22 −35.65 65.62 15.00 124 ALA CB −34.86 −35.50 64.98 15.00 124 ALA C −36.70 −34.29 66.11 15.00 124 ALA O −36.67 −34.02 67.31 15.00 125 VAL N −37.16 −33.45 65.19 15.00 125 VAL CA −37.66 −32.13 65.55 15.00 125 VAL CB −38.00 −31.28 64.27 15.00 125 VAL CG1 −38.50 −29.89 64.64 15.00 125 VAL CG2 −36.77 −31.11 63.41 15.00 125 VAL C −38.87 −32.25 66.47 15.00 125 VAL O −39.03 −31.46 67.41 15.00 126 ALA N −39.71 −33.26 66.28 15.00 126 ALA CA −40.90 −33.44 67.11 15.00 126 ALA CB −42.00 −34.13 66.32 15.00 126 ALA C −40.64 −34.18 68.44 15.00 126 ALA O −41.32 −33.93 69.44 15.00 127 ARG N −39.67 −35.09 68.46 15.00 127 ARG CA −39.36 −35.83 69.68 15.00 127 ARG CB −38.79 −37.22 69.36 15.00 127 ARG CG −39.80 −38.34 69.36 15.00 127 ARG CD −40.24 −38.71 67.96 15.00 127 ARG NE −39.78 −40.04 67.58 15.00 127 ARG CZ −40.46 −40.88 66.80 15.00 127 ARG NH1 −39.94 −42.06 66.52 15.00 127 ARG NH2 −41.66 −40.57 66.33 15.00 127 ARG C −38.36 −35.09 70.56 15.00 127 ARG O −38.41 −35.20 71.78 15.00 128 VAL N −37.44 −34.37 69.94 15.00 128 VAL CA −36.42 −33.64 70.68 15.00 128 VAL CB −35.07 −33.78 69.99 15.00 128 VAL CG1 −33.97 −33.24 70.88 15.00 128 VAL CG2 −34.81 −35.23 69.64 15.00 128 VAL C −36.75 −32.17 70.84 15.00 128 VAL O −36.91 −31.68 71.94 15.00 129 GLY N −36.85 −31.47 69.72 15.00 129 GLY CA −37.13 −30.05 69.75 15.00 129 GLY C −36.29 −29.43 68.64 15.00 129 GLY O −35.92 −30.14 67.70 15.00 130 PRO N −35.92 −28.15 68.76 15.00 130 PRO CD −36.24 −27.22 69.86 15.00 130 PRO CA −35.11 −27.49 67.75 15.00 130 PRO CB −34.80 −26.14 68.39 15.00 130 PRO CG −36.01 −25.88 69.20 15.00 130 PRO C −33.83 −28.24 67.40 15.00 130 PRO O −33.02 −28.57 68.28 15.00 131 VAL N −33.63 −28.47 66.11 15.00 131 VAL CA −32.46 −29.17 65.62 15.00 131 VAL CB −32.89 −30.36 64.73 15.00 131 VAL CG1 −31.68 −31.12 64.19 15.00 131 VAL CG2 −33.78 −31.29 65.53 15.00 131 VAL C −31.59 −28.20 64.81 15.00 131 VAL O −32.10 −27.31 64.12 15.00 132 SER N −30.28 −28.33 64.94 15.00 132 SER CA −29.35 −27.48 64.21 15.00 132 SER CB −28.02 −27.41 64.95 15.00 132 SER OG −28.18 −26.80 66.21 15.00 132 SER C −29.16 −28.09 62.83 15.00 132 SER O −28.84 −29.27 62.71 15.00 133 VAL N −29.37 −27.32 61.78 15.00 133 VAL CA −29.21 −27.82 60.42 15.00 133 VAL CB −30.58 −28.02 59.71 15.00 133 VAL CG1 −31.50 −28.91 60.54 15.00 133 VAL CG2 −31.24 −26.68 59.44 15.00 133 VAL C −28.37 −26.84 59.60 15.00 133 VAL O −28.20 −25.68 59.99 15.00 134 ALA N −27.82 −27.30 58.48 15.00 134 ALA CA −27.00 −26.45 57.62 15.00 134 ALA CB −25.58 −26.95 57.57 15.00 134 ALA C −27.65 −26.50 56.26 15.00 134 ALA O −28.14 −27.55 55.86 15.00 135 ILE N −27.66 −25.38 55.55 15.00 135 ILE CA −28.30 −25.28 54.23 15.00 135 ILE CB −29.70 −24.57 54.29 15.00 135 ILE CG2 −30.71 −25.39 55.10 15.00 135 ILE CG1 −29.54 −23.15 54.87 15.00 135 ILE CD1 −30.81 −22.34 54.88 15.00 135 ILE C −27.46 −24.44 53.29 15.00 135 ILE O −26.40 −23.92 53.66 15.00 136 ASP N −27.97 −24.32 52.07 15.00 136 ASP CA −27.34 −23.50 51.04 15.00 136 ASP CB −27.56 −24.11 49.65 15.00 136 ASP CG −27.02 −23.23 48.53 15.00 136 ASP OD1 −27.80 −22.84 47.64 15.00 136 ASP OD2 −25.83 −22.91 48.54 15.00 136 ASP C −28.06 −22.16 51.14 15.00 136 ASP O −29.21 −22.03 50.74 15.00 137 ALA N −27.43 −21.17 51.76 15.00 137 ALA CA −28.07 −19.87 51.86 15.00 137 ALA CB −27.97 −19.34 53.26 15.00 137 ALA C −27.47 −18.89 50.85 15.00 137 ALA O −27.92 −17.75 50.72 15.00 138 SER N −26.43 −19.33 50.15 15.00 138 SER CA −25.79 −18.51 49.14 15.00 138 SER CB −24.36 −19.00 48.90 15.00 138 SER OG −23.55 −18.75 50.04 15.00 138 SER C −26.61 −18.61 47.87 15.00 138 SER O −26.41 −19.53 47.07 15.00 139 LEU N −27.56 −17.70 47.74 15.00 139 LEU CA −28.46 −17.66 46.60 15.00 139 LEU CB −29.32 −18.92 46.55 15.00 139 LEU CG −30.03 −19.30 45.25 15.00 139 LEU CD1 −29.04 −19.96 44.31 15.00 139 LEU CD2 −31.14 −20.28 45.54 15.00 139 LEU C −29.35 −16.43 46.82 15.00 139 LEU O −29.99 −16.29 47.87 15.00 140 THR N −29.39 −15.54 45.83 15.00 140 THR CA −30.17 −14.30 45.90 15.00 140 THR CB −30.15 −13.57 44.52 15.00 140 THR OG1 −29.95 −14.53 43.47 15.00 140 THR CG2 −29.05 −12.52 44.48 15.00 140 THR C −31.60 −14.43 46.41 15.00 140 THR O −32.02 −13.70 47.31 15.00 141 SER N −32.35 −15.38 45.88 15.00 141 SER CA −33.74 −15.58 46.27 15.00 141 SER CB −34.42 −16.62 45.36 15.00 141 SER OG −33.62 −17.78 45.21 15.00 141 SER C −33.92 −15.96 47.74 15.00 141 SER O −34.99 −15.74 48.33 15.00 142 PHE N −32.90 −16.52 48.37 15.00 142 PHE CA −33.01 −16.91 49.77 15.00 142 PHE CB −31.92 −17.91 50.15 15.00 142 PHE CG −31.91 −18.26 51.61 15.00 142 PHE CD1 −32.74 −19.26 52.10 15.00 142 PHE CD2 −31.09 −17.58 52.50 15.00 142 PHE CE1 −32.74 −19.58 53.45 15.00 142 PHE CE2 −31.09 −17.90 53.87 15.00 142 PHE CZ −31.92 −18.89 54.34 15.00 142 PHE C −32.87 −15.67 50.62 15.00 142 PHE O −33.64 −15.45 51.55 15.00 143 GLN N −31.90 −14.85 50.24 15.00 143 GLN CA −31.58 −13.63 50.96 15.00 143 GLN CB −30.25 −13.12 50.48 15.00 143 GLN CG −29.21 −14.20 50.55 15.00 143 GLN CD −27.89 −13.73 50.06 15.00 143 GLN OE1 −27.33 −12.78 50.59 15.00 143 GLN NE2 −27.36 −14.40 49.05 15.00 143 GLN C −32.63 −12.53 50.92 15.00 143 GLN O −32.79 −11.82 51.91 15.00 144 PHE N −33.31 −12.35 49.79 15.00 144 PHE CA −34.36 −11.32 49.70 15.00 144 PHE CB −34.28 −10.50 48.39 15.00 144 PHE CG −34.49 −11.30 47.11 15.00 144 PHE CD1 −33.53 −11.26 46.11 15.00 144 PHE CD2 −35.66 −12.02 46.88 15.00 144 PHE CE1 −33.74 −11.93 44.90 15.00 144 PHE CE2 −35.88 −12.69 45.67 15.00 144 PHE CZ −34.91 −12.64 44.68 15.00 144 PHE C −35.77 −11.88 49.96 15.00 144 PHE O −36.77 −11.36 49.45 15.00 145 TYR N −35.82 −12.95 50.76 15.00 145 TYR CA −37.05 −13.64 51.13 15.00 145 TYR CB −36.69 −14.96 51.83 15.00 145 TYR CG −37.83 −15.59 52.60 15.00 145 TYR CD1 −38.64 −16.56 52.01 15.00 145 TYR CE1 −39.71 −17.11 52.70 15.00 145 TYR CD2 −38.11 −15.20 53.91 15.00 145 TYR CE2 −39.18 −15.74 54.60 15.00 145 TYR CZ −39.98 −16.69 53.99 15.00 145 TYR OH −41.05 −17.22 54.66 15.00 145 TYR C −37.79 −12.74 52.10 15.00 145 TYR O −37.16 −12.04 52.89 15.00 146 SER N −39.12 −12.80 52.09 15.00 146 SER CA −39.93 −11.97 52.99 15.00 146 SER CB −40.22 −10.61 52.35 15.00 146 SER OG −40.75 −10.75 51.05 15.00 146 SER C −41.25 −12.62 53.43 15.00 146 SER O −41.83 −12.21 54.43 15.00 147 LYN N −41.74 −13.59 52.66 15.00 147 LYS CA −42.98 −14.28 52.99 15.00 147 LYS CB −44.19 −13.35 52.82 15.00 147 LYS CG −44.40 −12.86 51.40 15.00 147 LYS CD −45.58 −11.90 51.31 15.00 147 LYS CE −46.86 −12.63 50.95 15.00 147 LYS NZ −48.03 −11.69 50.96 15.00 147 LYS C −43.18 −15.52 52.13 15.00 147 LYS O −42.61 −15.62 51.04 15.00 148 GLY N −44.00 −16.45 52.62 15.00 148 GLY CA −44.27 −17.68 51.88 15.00 148 GLY C −43.30 −18.81 52.16 15.00 148 GLY O −42.38 −18.69 52.97 15.00 149 VAL N −43.52 −19.94 51.51 15.00 149 VAL CA −42.66 −21.10 51.68 15.00 149 VAL CB −43.47 −22.41 51.46 15.00 149 VAL CG1 −42.59 −23.63 51.61 15.00 149 VAL CG2 −44.62 −22.47 52.45 15.00 149 VAL C −41.57 −20.96 50.62 15.00 149 VAL O −41.84 −20.56 49.50 15.00 150 TYR N −40.34 −21.30 50.96 15.00 150 TYR CA −39.24 −21.14 50.02 15.00 150 TYR CB −38.02 −20.54 50.73 15.00 150 TYR CG −36.80 −20.39 49.85 15.00 150 TYR CD1 −36.77 −19.48 48.80 15.00 150 TYR CE1 −35.66 −19.36 47.97 15.00 150 TYR CD2 −35.67 −21.18 50.05 15.00 150 TYR CE2 −34.56 −21.07 49.24 15.00 150 TYR CZ −34.56 −20.16 48.20 15.00 150 TYR OH −33.45 −20.04 47.40 15.00 150 TYR C −38.83 −22.39 49.27 15.00 150 TYR O −38.66 −23.45 49.85 15.00 151 TYR N −38.62 −22.22 47.97 15.00 151 TYR CA −38.17 −23.31 47.12 15.00 151 TYR CB −39.33 −24.21 46.71 15.00 151 TYR CG −38.86 −25.44 45.98 15.00 151 TYR CD1 −37.95 −26.30 46.56 15.00 151 TYR CE1 −37.46 −27.40 45.87 15.00 151 TYR CD2 −39.29 −25.71 44.68 15.00 151 TYR CE2 −38.81 −26.81 43.98 15.00 151 TYR CZ −37.89 −27.65 44.58 15.00 151 TYR OH −37.37 −28.73 43.90 15.00 151 TYR C −37.49 −22.74 45.88 15.00 151 TYR O −37.97 −21.79 45.28 15.00 152 ASP N −36.36 −23.32 45.49 15.00 152 ASP CA −35.64 −22.85 44.31 15.0G 152 ASP CB −34.72 −21.69 44.66 15.00 152 ASP CG −34.07 −21.09 43.44 15.00 152 ASP OD1 −33.12 −21.69 42.92 15.00 152 ASP OD2 −34.52 −20.01 43.01 15.00 152 ASP C −34.83 −23.96 43.66 15.00 152 ASP O −33.85 −24.45 44.23 15.00 153 GLU N −35.21 −24.32 42.44 15.00 153 GLU CA −34.53 −25.36 41.69 15.00 153 GLU CB −34.98 −25.36 40.21 15.00 153 GLU CG −35.22 −23.98 39.55 15.00 153 GLU CD −33.95 −23.34 38.93 15.00 153 GLU OE1 −33.38 −22.41 39.56 15.00 153 GLU OE2 −33.56 −23.73 37.80 15.00 153 GLU C −33.02 −25.27 41.80 15.00 153 GLU O −32.36 −26.29 42.00 15.00 154 SER N −32.48 −24.05 41.74 15.00 154 SER CA −31.02 −23.84 41.81 15.00 154 SER CB −30.65 −22.45 41.31 15.00 154 SER OG −30.66 −22.41 39.90 15.00 154 SER C −30.37 −24.06 43.16 15.00 154 SER O −29.14 −23.91 43.30 15.00 155 CYS N −31.15 −24.39 44.19 15.00 155 CYS CA −30.56 −24.61 45.49 15.00 155 CYS C −29.70 −25.86 45.37 15.00 155 CYS O −30.17 −26.88 44.86 15.00 155 CYS CB −31.63 −24.79 46.55 15.GO 155 CYS SG −31.06 −24.07 48.11 15.00 156 ASN N −28.43 −25.75 45.74 15.00 156 ASN CA −27.50 −26.87 45.66 15.00 156 ASN CB −26.13 −26.39 45.18 15.00 156 ASN CG −25.14 −27.52 44.97 15.00 156 ASN OD1 −25.51 −28.70 44.95 15.00 156 ASN ND2 −23.88 −27.16 44.80 15.00 156 ASN C −27.34 −27.66 46.95 15.00 156 ASN O −26.57 −27.31 47.85 15.00 157 SER N −28.03 −28.79 46.98 15.00 157 SER CA −28.03 −29.71 48.10 15.00 157 SER CB −28.72 −31.00 47.65 15.00 157 SER OG −29.25 −30.85 46.33 15.00 157 SER C −26.63 −30.03 48.63 15.00 157 SER O −26.46 −30.47 49.77 15.00 158 ASP N −25.61 −29.83 47.80 15.00 158 ASP CA −24.23 −30.12 48.18 15.00 158 ASP CB −23.50 −30.73 47.00 15.00 158 ASP CG −23.99 −32.13 46.66 15.00 158 ASP OD1 −24.82 −32.27 45.74 15.00 158 ASP OD2 −23.57 −33.09 47.34 15.00 158 ASP C −23.44 −28.95 48.72 15.00 158 ASP O −22.48 −29.13 49.48 15.00 159 ASN N −23.80 −27.73 48.33 15.00 159 ASN CA −23.05 −26.56 48.81 15.00 159 ASN CB −23.07 −25.44 47.75 15.00 159 ASN CG −22.15 −24.26 48.11 15.00 159 ASN OD1 −22.30 −23.64 49.16 15.00 159 ASN ND2 −21.21 −23.95 47.22 15.00 159 ASN C −23.63 −26.08 50.13 15.00 159 ASN O −24.43 −25.14 50.17 15.00 160 LEU N −23.27 −26.74 51.23 15.00 160 LEU CA −23.78 −26.33 52.55 15.00 160 LEU CB −23.76 −27.50 53.53 15.00 160 LEU CG −24.57 −28.73 53.10 15.00 160 LEU CD1 −24.08 −29.96 53.84 15.00 160 LEU CD2 −26.06 −28.51 53.32 15.00 160 LEU C −22.87 −25.21 53.02 15.00 160 LEU O −21.70 −25.45 53.29 15.00 161 ASN N −23.41 −24.01 53.16 15.00 161 ASN CA −22.59 −22.86 53.54 15.00 161 ASN CB −22.43 −21.97 52.31 15.00 161 ASN CG −23.75 −21.64 51.67 15.00 161 ASN OD1 −24.51 −20.79 52.17 15.00 161 ASN ND2 −24.09 −22.36 50.62 15.00 161 ASN C −23.07 −22.00 54.70 15.00 161 ASN O −22.32 −21.20 55.27 15.00 162 HIS N −24.34 −22.10 55.06 15.00 162 HIS CA −24.87 −21.31 56.16 15.00 162 HIS CB −25.90 −20.34 55.60 15.00 162 HIS CG −26.42 −19.36 56.60 15.00 162 HIS CD2 −27.67 −19.00 56.94 15.00 162 HIS ND1 −25.58 −18.61 57.40 15.00 162 HIS CE1 −26.30 −17.82 58.18 15.00 162 HIS NE2 −27.57 −18.05 57.92 15.00 162 HIS C −25.52 −22.24 57.17 15.00 162 HIS O −26.26 −23.14 56.80 15.00 163 ALA N −25.22 −22.02 58.45 15.00 163 ALA CA −25.79 −22.84 59.53 15.00 163 ALA CB −24.77 −23.10 60.61 15.00 163 ALA C −27.00 −22.13 60.10 15.00 163 ALA O −26.93 −20.95 60.48 15.00 164 VAL N −28.10 −22.85 60.20 15.00 164 VAL CA −29.34 −22.30 60.70 15.00 164 VAL CB −30.25 −22.02 59.52 15.00 164 VAL CG1 −31.04 −23.26 59.13 15.00 164 VAL CG2 −31.11 −20.83 59.80 15.00 164 VAL C −29.96 −23.25 61.73 15.00 164 VAL O −29.32 −24.21 62.14 15.00 165 LEU N −31.20 −22.99 62.16 15.00 165 LEU CA −31.87 −23.83 63.17 15.00 165 LEU CB −31.87 −23.10 64.52 15.00 165 LEU CG −32.48 −23.78 65.74 15.00 165 LEU CD1 −31.58 −24.90 66.23 15.00 165 LEU CD2 −32.71 −22.77 66.84 15.00 165 LEU C −33.31 −24.16 62.81 15.00 165 LEU O −34.08 −23.27 62.49 15.00 166 ALA N −33.69 −25.43 62.90 15.00 166 ALA CA −35.06 −25.86 62.59 15.00 166 ALA CB −35.05 −27.27 62.00 15.00 166 ALA C −35.91 −25.81 63.86 15.00 166 ALA O −35.69 −26.57 64.80 15.00 167 VAL N −36.89 −24.92 63.85 15.00 167 VAL CA −37.78 −24.65 65.00 15.00 167 VAL CB −37.89 −23.09 65.18 15.00 167 VAL CG1 −38.97 −22.71 66.15 15.00 167 VAL CG2 −36.58 −22.55 65.68 15.00 167 VAL C −39.16 −25.32 64.93 15.00 167 VAL O −39.98 −25.21 65.84 15.00 168 GLY N −39.43 −26.06 63.87 15.00 168 GLY CA −40.71 −26.72 63.75 15.00 168 GLY C −40.98 −27.09 62.31 15.00 168 GLY O −40.05 −27.10 61.49 15.00 169 TYR N −42.23 −27.39 61.99 15.00 169 TYR CA −42.65 −27.76 60.65 15.00 169 TYR CB −42.15 −29.17 60.29 15.00 169 TYR CG −42.64 −30.27 61.22 15.00 169 TYR CD1 −44.00 −30.58 61.31 15.00 169 TYR CE1 −44.46 −31.57 62.15 15.00 169 TYR CD2 −41.75 −30.99 62.01 15.00 169 TYR CE2 −42.20 −31.99 62.85 15.00 169 TYR CZ −43.56 −32.28 62.91 15.00 169 TYR OH −44.04 −33.28 63.71 15.00 169 TYR C −44.16 −27.70 60.54 15.00 169 TYR O −44.85 −27.38 61.52 15.00 170 GLY N −44.70 −28.04 59.38 15.00 170 GLY CA −46.13 −28.00 59.18 15.00 170 GLY C −46.49 −27.76 57.73 15.00 170 GLY O −45.83 −28.26 56.83 15.00 171 ILE N −47.48 −26.92 57.48 15.00 171 ILE CA −47.95 −26.63 56.13 15.00 171 ILE CB −49.03 −27.66 55.72 15.00 171 ILE CG2 −50.01 −27.09 54.71 15.00 171 ILE CG1 −48.36 −28.95 55.21 15.00 171 ILE CD1 −49.35 −30.05 54.82 15.00 171 ILE C −48.54 −25.23 56.14 15.00 171 ILE O −48.91 −24.71 57.20 15.00 172 GLN N −48.58 −24.55 55.00 15.00 172 GLN CA −49.16 −23.20 54.97 15.00 172 GLN CB −48.08 −22.18 54.62 15.00 172 GLN CG −48.58 −20.75 54.57 15.00 172 GLN CD −47.50 −19.79 54.12 15.00 172 GLN OE1 −46.95 −19.93 53.02 15.00 172 GLN NE2 −47.18 −18.82 54.96 15.00 172 GLN C −50.29 −23.15 53.96 15.00 172 GLN O −51.45 −22.89 54.32 15.00 173 LYS N −49.96 −23.36 52.68 15.00 173 LYS CA −50.96 −23.38 51.61 15.00 173 LYS CB −50.84 −22.14 50.69 15.00 173 LYS CG −51.09 −20.78 51.36 15.00 173 LYS CD −52.40 −20.72 52.16 15.00 173 LYS CE −53.63 −20.91 51.29 15.00 173 LYS NZ −54.88 −20.56 52.06 15.00 173 LYS C −50.66 −24.63 50.81 15.00 173 LYS O −50.20 −24.57 49.67 15.00 174 GLY N −50.86 −25.77 51.45 15.00 174 GLY CA −50.60 −27.04 50.79 15.00 174 GLY C −49.13 −27.39 50.91 15.00 174 GLY O −48.77 −28.52 51.28 15.00 175 ASN N −48.26 −26.42 50.63 15.00 175 ASN CA −46.83 −26.66 50.70 15.00 175 ASN CB −46.06 −25.48 50.10 15.00 175 ASN CG −46.31 −25.33 48.61 15.00 175 ASN OD1 −47.34 −24.79 48.20 15.00 175 ASN ND2 −45.38 −25.81 47.80 15.00 175 ASN C −46.33 −26.96 52.11 15.00 175 ASN O −46.55 −26.18 53.05 15.00 176 LYS N −45.69 −28.13 52.25 15.00 176 LYS CA −45.13 −28.55 53.53 15.00 176 LYS CB −44.68 −30.01 53.48 15.00 176 LYS CG −45.77 −31.03 53.17 15.00 176 LYS CD −45.27 −32.45 53.44 15.00 176 LYS CE −46.19 −33.50 52.85 15.00 176 LYS NZ −46.03 −33.64 51.36 15.00 176 LYS C −43.92 −27.66 53.74 15.00 176 LYS O −43.25 −27.27 52.77 15.00 177 HIS N −43.57 −27.37 54.99 15.00 177 HIS CA −42.44 −26.49 55.22 15.00 177 HIS CB −42.90 −25.04 55.10 15.00 177 HIS CG −43.81 −24.59 56.20 15.00 177 HIS CD2 −43.59 −24.40 57.52 15.00 177 HIS ND1 −45.13 −24.24 55.98 15.00 177 HIS CE1 −45.67 −23.85 57.12 15.00 177 HIS NE2 −44.76 −23.93 58.07 15.00 177 HIS C −41.73 −26.66 56.55 15.00 177 HIS O −42.31 −27.17 57.50 15.00 178 TRP N −40.48 −26.20 56.61 15.00 178 TRP CA −39.68 −26.25 57.82 15.00 178 TRP CB −38.26 −26.73 57.52 15.00 178 TRP CG −38.13 −28.11 57.02 15.00 178 TRP CD2 −38.29 −29.32 57.78 15.00 178 TRP CE2 −37.96 −30.39 56.93 15.00 178 TRP CE3 −38.68 −29.59 59.10 15.00 178 TRP CD1 −37.74 −28.49 55.78 15.00 178 TRP NE1 −37.62 −29.86 55.72 15.00 178 TRP CZ2 −38.00 −31.71 57.35 15.00 178 TRP CZ3 −38.72 −30.91 59.52 15.00 178 TRP CH2 −38.38 −31.96 58.64 15.00 178 TRP C −39.60 −24.81 58.34 15.00 178 TRP O −39.21 −23.90 57.60 15.00 179 ILE N −39.96 −24.57 59.59 15.00 179 ILE CA −39.89 −23.23 60.17 15.00 179 ILE CB −40.79 −23.11 61.41 15.00 179 ILE CG2 −40.66 −21.74 62.03 15.00 179 ILE CG1 −42.24 −23.42 61.02 15.00 179 ILE CD1 −43.21 −23.40 62.15 15.00 179 ILE C −38.44 −23.00 60.58 15.00 179 ILE O −37.97 −23.57 61.56 15.00 180 ILE N −37.72 −22.17 59.81 15.00 180 ILE CA −36.31 −21.89 60.07 15.00 180 ILE CB −35.49 −21.93 58.76 15.00 180 ILE CG2 −34.04 ,−21.77 59.05 15.00 180 ILE CG1 −35.73 −23.25 58.02 15.00 180 ILE CD1 −35.30 −24.46 58.78 15.00 180 ILE C −36.03 −20.55 60.77 15.00 180 ILE O −36.62 −19.52 60.42 15.00 181 LYS N −35.13 −20.57 61.74 15.00 181 LYS CA −34.73 −19.40 62.50 15.00 181 LYS CB −34.63 −19.75 63.99 15.00 181 LYS CG −34.15 −18.60 64.87 15.00 181 LYS CD −33.79 −19.04 66.29 15.00 181 LYS CE −33.65 −17.84 67.19 15.00 181 LYS NZ −33.21 −18.18 68.57 15.00 181 LYS C −33.36 −19.00 62.01 15.00 181 LYS O −32.43 −19.79 62.05 15.00 182 ASN N −33.20 −17.77 61.53 15.00 182 ASN CA −31.90 −17.34 61.04 15.00 182 ASN CB −32.07 −16.64 59.69 15.00 182 ASN CG −30.84 −16.74 58.82 15.00 182 ASN OD1 −29.75 −17.06 59.30 15.00 182 ASN ND2 −31.01 −16.50 57.53 15.00 182 ASN C −31.22 −16.43 62.06 15.00 182 ASN O −31.77 −16.14 63.11 15.00 183 SER N −30.00 −15.98 61.77 15.00 183 SER CA −29.29 −15.10 62.69 15.00 183 SER CB −28.07 −15.81 63.25 15.00 183 SER OG −27.40 −16.52 62.23 15.00 183 SER C −28.87 −13.82 61.98 15.00 183 SER O −27.82 −13.25 62.27 15.00 184 TRP N −29.70 −13.35 61.06 15.00 184 TRP CA −29.40 −12.13 60.34 15.00 184 TRP CB −29.58 −12.36 58.83 15.00 184 TRP CG −28.57 −13.29 58.22 15.00 184 TRP CD2 −28.61 −13.87 56.90 15.00 184 TRP CE2 −27.40 −14.58 56.72 15.00 184 TRP CE3 −29.54 −13.84 55.86 15.00 184 TRP CD1 −27.39 −13.69 58.76 15.00 184 TRP NE1 −26.68 −14.46 57.87 15.00 184 TRP CZ2 −27.11 −15.26 55.53 15.00 184 TRP CZ3 −29.25 −14.52 54.67 15.00 184 TRP CH2 −28.04 −15.22 54.52 15.00 184 TRP C −30.28 −10.98 60.82 15.00 184 TRP O −30.61 −10.09 60.04 15.00 185 GLY N −30.70 −11.02 62.09 15.00 185 GLY CA −31.53 −9.96 62.66 15.00 185 GLY C −33.03 −10.14 62.46 15.00 185 GLY O −33.46 −10.99 61.69 15.00 186 GLU N −33.84 −9.34 63.17 15.00 186 GLU CA −35.30 −9.44 63.04 15.00 186 GLU CB −36.00 −8.71 64.19 15.00 186 GLU CG −35.52 −9.13 65.56 15.00 186 GLU CD −36.52 −8.85 66.68 15.00 186 GLU OE1 −36.30 −9.38 67.80 15.00 186 GLU OE2 −37.51 −8.13 66.46 15.00 186 GLU C −35.74 −8.83 61.73 15.00 186 GLU O −36.83 −9.11 61.22 15.00 187 ASN N −34.89 −7.97 61.19 15.00 187 ASN CA −35.15 −7.28 59.95 15.00 187 ASN CB −34.04 −6.25 59.73 15.00 187 ASN CG −34.56 −4.94 59.17 15.00 187 ASN OD1 −33.77 −4.07 58.80 15.00 187 ASN ND2 −35.88 −4.76 59.16 15.00 187 ASN C −35.21 −8.22 58.75 15.00 187 ASN O −36.04 −8.04 57.86 15.00 188 TRP N −34.33 −9.22 58.73 15.00 188 TRP CA −34.26 −10.18 57.64 15.00 188 TRP CB −33.03 −11.07 57.79 15.00 188 TRP CG −32.85 −12.02 56.65 15.00 188 TRP CD2 −33.28 −13.38 56.57 15.00 188 TRP CE2 −32.98 −13.85 55.28 15.00 188 TRP CE3 −33.90 −14.26 57.48 15.00 188 TRP CD1 −32.31 −11.72 55.44 15.00 188 TRP NE1 −32.39 −12.81 54.61 15.00 188 TRP CZ2 −33.27 −15.15 54.86 15.00 188 TRP CZ3 −34.20 −15.55 57.06 15.00 188 TRP CH2 −33.88 −15.98 55.77 15.00 188 TRP C −35.50 −11.05 57.53 15.00 188 TRP O −36.10 −11.42 58.55 15.00 189 GLY N −35.85 −11.42 56.31 15.00 189 GLY CA −37.00 −12.26 56.07 15.00 189 GLY C −38.21 −11.92 56.90 15.00 189 GLY O −38.47 −10.76 57.23 15.00 190 ASN N −38.97 −12.94 57.27 15.00 190 ASN CA −40.16 −12.73 58.07 15.00 190 ASN CB −41.17 −13.86 57.83 15.00 190 ASN CG −42.55 −13.53 58.36 15.00 190 ASN OD1 −42.70 −12.88 59.39 15.00 190 ASN ND2 −43.57 −13.99 57.65 15.00 190 ASN C −39.79 −12.67 59.54 15.00 190 ASN O −39.85 −13.66 60.25 15.00 191 LYS N −39.32 −11.52 60.00 15.00 191 LYS CA −38.95 −11.34 61.39 15.00 191 LYS CB −40.19 −11.48 62.29 15.00 191 LYS CG −40.95 −10.18 62.44 15.00 191 LYS CD −42.19 −10.32 63.30 15.00 191 LYS CE −43.32 −10.98 62.52 15.00 191 LYS NZ −43.71 −10.21 61.31 15.00 191 LYS C −37.84 −12.24 61.88 15.00 191 LYS O −37.77 −12.55 63.06 15.00 192 GLY N −36.94 −12.61 60.98 15.00 192 GLY CA −35.83 −13.46 61.35 15.00 192 GLY C −36.05 −14.91 60.98 15.00 192 GLY O −35.12 −15.70 60.99 15.00 193 TYR N −37.29 −15.27 60.65 15.00 193 TYR CA −37.60 −16.64 60.28 15.00 193 TYR CB −38.84 −17.13 61.05 15.00 193 TYR CG −38.60 −17.31 62.52 15.00 193 TYR CD1 −38.73 −16.25 63.41 15.00 193 TYR CE1 −38.46 −16.41 64.76 15.00 193 TYR CD2 −38.19 −18.55 63.03 15.00 193 TYR CE2 −37.92 −18.71 64.38 15.00 193 TYR CZ −38.05 −17.64 65.23 15.00 193 TYR OH −37.77 −17.80 66.56 15.00 193 TYR C −37.83 −16.81 58.79 15.00 193 TYR O −38.02 −15.82 58.08 15.00 194 ILE N −37.82 −18.06 58.35 15.00 194 ILE CA −38.04 −18.41 56.95 15.00 194 ILE CB −36.75 −18.32 56.10 15.00 194 ILE CG2 −35.64 −19.14 56.72 15.00 194 ILE CG1 −37.03 −18.83 54.69 15.00 194 ILE CD1 −35.86 −18.72 53.75 15.00 194 ILE C −38.61 −19.81 56.83 15.00 194 ILE O −38.11 −20.74 57.43 15.00 194 LEU N −39.72 −19.92 56.10 15.00 194 LEU CA −40.38 −21.19 55.85 15.00 195 LEU CB −41.88 −20.96 55.65 15.00 195 LEU CG −42.82 −20.84 56.86 15.00 195 LEU CD1 −42.19 −20.08 58.01 15.00 195 LEU CD2 −44.12 −20.18 56.42 15.00 195 LEU C −39.76 −21.78 54.59 15.00 195 LEU O −39.79 −21.16 53.53 15.00 196 MET N −39.11 −22.93 54.71 15.00 196 MET CA −38.46 −23.57 53.57 15.00 196 MET CB −37.03 −23.97 53.96 15.00 196 MET CG −36.09 −22.77 54.14 15.00 196 MET SD −34.43 −23.18 54.74 15.00 196 MET CE −33.67 −23.82 53.22 15.00 196 MET C −39.28 −24.78 53.11 15.00 196 MET O −40.09 −25.31 53.86 15.00 197 ALA N −39.08 −25.23 51.87 15.00 197 ALA CA −39.83 −26.37 51.32 15.00 197 ALA CB −39.62 −26.47 49.82 15.00 197 ALA C −39.52 −27.71 51.98 15.00 197 ALA O −38.37 −28.15 51.98 15.00 198 ARG N −40.56 −28.39 52.46 15.00 198 ARG CA −40.40 −29.68 53.11 15.00 198 ARG CB −41.17 −29.72 54.44 15.00 198 ARG CG −41.15 −31.07 55.15 15.00 198 ARG CD −41.43 −30.95 56.63 15.00 198 ARG NE −42.81 −30.59 56.92 15.00 198 ARG CZ −43.79 −31.47 57.10 15.00 198 ARG NH1 −43.54 −32.78 57.01 15.00 198 ARG NH2 −45.01 −31.05 57.42 15.00 198 ARG C −40.82 −30.85 52.23 15.00 198 ARG O −41.86 −30.80 51.57 15.00 199 ASN N −40.00 −31.89 52.23 15.00 199 ASN CA −40.25 −33.10 51.45 15.00 199 ASN CB −41.59 −33.75 51.83 15.00 199 ASN CG −41.57 −34.40 53.22 15.00 199 ASN OD1 −42.60 −34.43 53.91 15.00 199 ASN ND2 −40.42 −34.91 53.63 15.00 199 ASN C −40.15 −32.94 49.94 15.00 199 ASN O −40.49 −33.86 49.19 15.00 200 LYS N −39.67 −31.77 49.49 15.00 200 LYS CA −39.50 −31.55 48.05 15.00 200 LYS CB −39.77 −30.09 47.65 15.00 200 LYS CG −41.23 −29.79 47.39 15.00 200 LYS CD −41.42 −28.49 46.63 15.00 200 LYS CE −42.88 −28.03 46.65 15.00 200 LYS NZ −43.06 −26.68 46.03 15.00 200 LYS C −38.09 −31.95 47.69 15.00 200 LYS O −37.28 −31.12 47.26 15.00 201 ASN N −37.80 −33.22 47.95 15.00 201 ASN CA −36.50 −33.81 47.65 15.00 201 ASN CB −36.24 −33.83 46.13 15.00 201 ASN CG −37.32 −34.57 45.35 15.00 201 ASN OD1 −37.09 −35.68 44.87 15.00 201 ASN ND2 −38.46 −33.92 45.15 15.00 201 ASN C −35.31 −33.16 48.37 15.00 201 ASN O −34.31 −32.84 47.74 15.00 202 ASN N −35.43 −32.90 49.67 15.00 202 ASN CA −34.32 −32.33 50.44 15.00 202 ASN CB −33.19 −33.35 50.50 15.00 202 ASN CG −32.27 −33.14 51.68 15.00 202 ASN OD1 −32.71 −32.70 52.75 15.00 202 ASN ND2 −31.00 −33.48 51.51 15.00 202 ASN C −33.81 −30.99 49.89 15.00 202 ASN O −32.60 −30.77 49.75 15.00 203 ALA N −34.73 −30.09 49.59 15.00 203 ALA H −35.63 −30.29 49.94 15.00 203 ALA CA −34.40 −28.79 49.02 15.00 203 ALA CB −35.62 −27.88 48.98 15.00 203 ALA C −33.35 −28.09 49.90 15.00 203 ALA O −33.51 −27.93 51.10 15.00 204 CYS N −32.27 −27.66 49.25 15.00 204 CYS CA −31.18 −26.94 49.91 15.00 204 CYS C −30.38 −27.79 50.89 15.00 204 CYS O −29.60 −27.25 51.68 15.00 204 CYS CB −31.71 −25.68 50.59 15.00 204 CYS SG −32.51 −24.48 49.47 15.00 205 GLY N −30.56 −29.10 50.84 15.00 205 GLY CA −29.83 −30.00 51.71 15.00 205 GLY C −30.11 −29.81 53.19 15.00 205 GLY O −29.22 −29.98 54.02 15.00 206 ILE N −31.35 −29.51 53.52 15.00 206 ILE CA −31.77 −29.30 54.89 15.00 206 ILE CB −33.30 −29.10 54.96 15.00 206 ILE CG2 −34.02 −30.31 54.38 15.00 206 ILE CG1 −33.76 −28.86 56.41 15.00 206 ILE CD1 −33.48 −27.47 56.92 15.00 206 ILE C −31.35 −30.45 55.82 15.00 206 ILE O −30.94 −30.23 56.97 15.00 207 ALA N −31.36 −31.68 55.31 15.00 207 ALA CA −31.00 −32.84 56.11 15.00 207 ALA CB −32.05 −33.93 55.95 15.00 207 ALA C −29.61 −33.42 55.88 15.00 207 ALA O −29.35 −34.57 56.24 15.00 208 ASN N −28.68 −32.65 55.31 15.00 208 ASN CA −27.33 −33.15 55.05 15.00 208 ASN CB −26.76 −32.53 53.77 15.00 208 ASN CG −27.34 −33.15 52.51 15.00 208 ASN OD1 −28.21 −34.02 52.57 15.00 208 ASN ND2 −26.89 −32.67 51.36 15.00 208 ASN C −26.32 −32.95 56.20 15.00 208 ASN O −25.17 −33.40 56.12 15.00 209 LEU N −26.72 −32.25 57.25 15.00 209 LEU CA −25.84 −32.03 58.40 15.00 209 LEU CB −24.76 −31.00 58.04 15.00 209 LEU CG −23.41 −30.99 58.78 15.00 209 LEU CD1 −22.72 −32.35 58.64 15.00 209 LEU CD2 −22.51 −29.86 58.24 15.00 209 LEU C −26.67 −31.60 59.63 15.00 209 LEU O −26.38 −30.59 60.28 15.00 210 ALA N −27.72 −32.37 59.95 15.00 210 ALA H −28.03 −32.90 59.19 15.00 210 ALA CA −28.61 −32.05 61.06 15.00 210 ALA CB −30.02 −32.57 60.81 15.00 210 ALA C −28.10 −32.73 62.34 15.00 210 ALA O −27.62 −33.86 62.34 15.00 211 SER N −28.18 −32.02 63.47 15.00 211 SER CA −27.75 −32.59 64.74 15.00 211 SER CB −26.24 −32.46 64.92 15.00 211 SER OG −25.84 −31.12 65.06 15.00 211 SER C −28.45 −31.88 65.88 15.00 211 SER O −29.03 −30.80 65.71 15.00 212 PHE N −28.50 −32.51 67.04 15.00 212 PHE CA −29.11 −31.91 68.21 15.00 212 PHE CB −30.59 −32.31 68.33 15.00 212 PHE CG −30.81 −33.79 68.43 15.00 212 PHE CD1 −31.11 −34.54 67.30 15.00 212 PHE CD2 −30.72 −34.44 69.66 15.00 212 PHE CE1 −31.32 −35.91 67.39 15.00 212 PHE CE2 −30.92 −35.81 69.77 15.00 212 PHE CZ −31.23 −36.55 68.63 15.00 212 PHE C −28.30 −32.39 69.40 15.00 212 PHE O −27.66 −33.43 69.32 15.00 213 PRO N −28.24 −31.58 70.46 15.00 213 PRO CD −28.77 −30.21 70.54 15.00 213 PRO CA −27.48 −31.92 71.67 15.00 213 PRO CB −27.21 −30.55 72.28 15.00 213 PRO CG −28.47 −29.82 71.97 15.00 213 PRO C −28.27 −32.81 72.64 15.00 213 PRO O −29.50 −32.76 72.69 15.00 214 LYS N −27.57 −33.62 73.42 15.00 214 LYS CA −28.23 −34.49 74.37 15.00 214 LYS CB −27.67 −35.90 74.28 15.00 214 LYS CG −28.06 −36.64 73.02 15.00 214 LYS CD −27.66 −38.11 73.07 15.00 214 LYS CE −26.16 −38.29 73.05 15.00 214 LYS NZ −25.79 −39.70 72.73 15.00 214 LYS C −28.03 −33.95 75.77 15.00 214 LYS O −26.90 −33.70 76.18 15.00 215 MET N −29.12 −33.69 76.47 15.00 215 MET CA −29.06 −33.18 77.83 15.00 215 MET CB −29.71 −31.80 77.93 15.00 215 MET CG −28.74 −30.64 77.75 15.00 215 MET SD −29.45 −29.00 78.06 15.00 215 MET CE −30.38 −29.32 79.56 15.00 215 MET C −29.72 −34.16 78.81 15.00 215 MET OT1 −30.39 −35.12 78.35 15.00 215 MET OT2 −29.55 −33.97 80.04 15.00 215 HOH OH2 −28.46 −18.77 85.58 15.00 217 HOH OH2 −24.63 −33.99 81.97 15.00 218 HOH OH2 −31.11 −15.95 65.82 15.00 219 HOH OH2 −30.23 −19.59 64.13 15.00 220 HOH OH2 −8.58 −7.31 62.36 15.00 221 HOH OH2 −6.71 −10.79 69.96 15.00 222 HOH OH2 −34.27 −22.79 70.48 15.00 223 HOH OH2 −16.88 −33.68 66.52 15.00 224 HOH OH2 −15.68 −8.93 63.11 15.00 225 HOH OH2 −24.93 −30.84 62.42 15.00 226 HOH OH2 −7.02 −8.27 72.29 15.00 227 HOH OH2 −13.39 −20.80 66.92 15.00 228 HOH OH2 −44.55 −30.12 50.27 15.00 229 HOH OH2 −44.14 −35.34 56.06 15.00 230 HOH OH2 −37.95 −16.02 68.44 15.00 231 HOH OH2 −36.41 −36.82 52.05 15.00 232 HOH OH2 −20.00 −36.75 62.15 15.00 233 HOH OH2 −30.13 −19.30 67.02 15.00 234 HOH OH2 −28.16 −19.22 62.41 15.00 235 HOH OH2 −22.03 −29.95 62.71 15.00 236 HOH OH2 −25.92 −8.85 75.85 15.00 237 HOH OH2 −41.00 −28.78 81.30 15.00 238 HOH OH2 −32.73 −23.15 83.59 15.00 239 HOH OH2 −40.55 −13.35 49.90 15.00 240 HOH OH2 −35.40 −24.36 49.00 15.00 241 HOH OH2 −48.40 −32.54 58.07 15.00 242 HOH OH2 −27.39 −6.75 59.53 15.00 243 HOH OH2 −41.50 −14.46 65.52 15.00 244 HOH OH2 −22.40 −5.47 61.33 15.00 245 HOH OH2 −33.17 −27.91 70.80 15.00 246 HOH OH2 −45.87 −26.25 75.72 15.00 247 HOH OH2 −12.64 −13.96 81.39 15.00 248 HOH OH2 −3.78 −18.92 74.98 15.00 249 HOH OH2 −8.03 −17.70 78.42 15.00 250 HOH OH2 −27.41 −34.98 59.22 15.00 251 HOH OH2 −34.88 −10.94 53.71 15.00 252 HOH OH2 −32.92 −27.68 46.17 15.00 253 HOH OH2 −39.35 −16.01 44.28 15.00 254 HOH OH2 −41.38 −34.64 56.30 15.00 255 HOH OH2 −44.42 −18.35 73.08 15.00 256 HOH OH2 −32.35 −13.73 61.23 15.00 257 HOH OH2 −39.40 −8.90 59.13 15.00 258 HOH OH2 −28.41 −8.93 68.65 15.00 259 HOH OH2 −31.58 −6.53 63.69 15.00 260 HOH OH2 −19.27 −8.48 63.41 15.00 261 HOH OH2 −33.33 −20.29 70.52 15.00 262 HOH OH2 −13.49 −22.80 78.17 15.00 263 HOH OH2 −8.72 −18.49 72.60 15.00 264 HOH OH2 −10.39 −28.70 76.32 15.00 265 HOH OH2 −20.24 −31.77 61.63 15.00 266 HOH OH2 −24.78 −46.10 72.19 15.00 267 HOH OH2 −13.26 −33.12 68.94 15.00 268 HOH OH2 −12.60 −26.87 72.01 15.00 269 HOH OH2 −17.76 −34.32 80.14 15.00 270 HOH OH2 −22.51 −37.80 70.83 15.00 271 HOH OH2 −7.33 −12.89 66.95 15.00 272 HOH OH2 −9.75 −17.21 68.77 15.00 273 HOH OH2 −30.86 −20.40 48.59 15.00 274 HOH OH2 −25.79 −24.78 42.10 15.00 275 HOH OH2 −33.50 −37.21 50.03 15.00 276 HOH OH2 −23.21 −24.90 43.38 15.00 277 HOH OH2 −37.83 −31.49 44.10 15.00 278 HOH OH2 −37.02 −30.78 51.01 15.00

TABLE III Table of the orthogonal three dimensional coordinates in Ångstroms and B factors (Å²) for the cathepsin K complex with inhibitor bis-(cbz-leucinyl)-1,3- diamino-propan-2-one. Residue Atom X Y Z B 1 ALA CB −54.29 −33.17 65.94 15.00 1 ALA C −53.88 −32.69 63.50 15.00 1 ALA O −53.42 −33.61 62.80 15.00 1 ALA N −55.60 −34.28 64.17 15.00 1 ALA CA −54.93 −33.01 64.57 15.00 2 PRO N −53.52 −31.40 63.32 15.00 2 PRO CD −53.99 −30.23 64.09 15.00 2 PRO CA −52.52 −30.98 62.32 15.00 2 PRO CB −52.49 −29.46 62.49 15.00 2 PRO CG −52.83 −29.26 63.94 15.00 2 PRO C −51.13 −31.59 62.52 15.00 2 PRO O −50.62 −31.64 63.64 15.00 3 ASP N −50.53 −32.08 61.44 15.00 3 ASP CA −49.19 −32.65 61.51 15.00 3 ASP CB −48.89 −33.49 60.27 15.00 3 ASP CG −49.53 −34.88 60.32 15.00 3 ASP OD1 −49.43 −35.55 61.39 15.00 3 ASP OD2 −50.12 −35.29 59.28 15.00 3 ASP C −48.24 −31.46 61.55 15.00 3 ASP O −47.60 −31.14 60.54 15.00 4 SER N −48.16 −30.78 62.68 15.00 4 SER CA −47.29 −29.62 62.80 15.00 4 SER CB −47.99 −28.35 62.27 15.00 4 SER OG −48.14 −28.37 60.86 15.00 4 SER C −46.84 −29.35 64.23 15.00 4 SER O −47.54 −29.71 65.19 15.00 5 VAL N −45.68 −28.72 64.36 15.00 5 VAL CA −45.14 −28.35 65.65 15.00 5 VAL CB −44.25 −29.47 66.25 15.00 5 VAL CG1 −43.09 −29.81 65.33 15.00 5 VAL CG2 −43.75 −29.04 67.62 15.00 5 VAL C −44.36 −27.06 65.44 15.00 5 VAL O −43.60 −26.93 64.48 15.00 6 ASP N −44.59 −26.08 66.30 15.00 6 ASP CA −43.94 −24.79 66.20 15.00 6 ASP CB −44.95 −23.76 65.68 15.00 6 ASP CG −44.35 −22.38 65.47 15.00 6 ASP OD1 −43.14 −22.26 65.21 15.00 6 ASP OD2 −45.11 −21.39 65.56 15.00 6 ASP C −43.47 −24.45 67.60 15.00 6 ASP O −44.25 −24.02 68.45 15.00 7 TYR N −42.18 −24.61 67.86 15.00 7 TYR CA −41.62 −24.34 69.18 15.00 7 TYR CB −40.24 −24.98 69.29 15.00 7 TYR CG −40.34 −26.48 69.38 15.00 7 TYR CD1 −40.73 −27.10 70.57 15.00 7 TYR CE1 −40.88 −28.46 70.65 15.00 7 TYR CD2 −40.08 −27.28 68.27 15.00 7 TYR CE2 −40.23 −28.65 68.34 15.00 7 TYR CZ −40.63 −29.23 69.53 15.00 7 TYR OH −40.78 −30.58 69.62 15.00 7 TYR C −41.58 −22.91 69.65 15.00 7 TYR O −41.37 −22.64 70.84 15.00 8 ARG N −41.80 −21.97 68.74 15.00 8 ARG CA −41.78 −20.56 69.11 15.00 8 ARG CB −41.99 −19.67 67.87 15.00 8 ARG CG −40.88 −19.77 66.84 15.00 8 ARG CD −41.23 −19.01 65.57 15.00 8 ARG NE −42.50 −19.45 65.01 15.00 8 ARG CZ −42.96 −19.10 63.81 15.00 8 ARG NH1 −42.24 −18.30 63.03 15.00 8 ARG NH2 −44.15 −19.53 63.40 15.00 8 ARG C −42.85 −20.28 70.15 15.00 8 ARG O −42.57 −19.72 71.21 15.00 9 LYS N −44.06 −20.77 69.88 15.00 9 LYS CA −45.18 −20.55 70.78 15.00 9 LYS CB −46.50 −20.64 70.02 15.00 9 LYS CG −46.63 −21.81 69.10 15.00 9 LYS CD −47.93 −21.71 68.33 15.00 9 LYS CE −48.22 −22.99 67.54 15.00 9 LYS NZ −49.52 −22.90 66.80 15.00 9 LYS C −45.22 −21.43 72.02 15.00 9 LYS O −46.25 −21.56 72.67 15.00 10 LYS N −44.08 −22.02 72.38 15.00 10 LYS CA −43.97 −22.87 73.56 15.00 10 LYS CB −43.66 −24.32 73.16 15.00 10 LYS CG −44.79 −25.04 72.44 15.00 10 LYS CD −44.37 −26.46 72.08 15.00 10 LYS CE −45.44 −27.16 71.27 15.00 10 LYS NZ −45.80 −26.44 70.01 15.00 10 LYS C −42.90 −22.38 74.54 15.00 10 LYS O −42.69 −22.99 75.59 15.00 11 GLY N −42.19 −21.30 74.19 15.00 11 GLY CA −41.15 −20.78 75.05 15.00 11 GLY C −39.83 −21.52 74.90 15.00 11 GLY O −38.95 −21.41 75.74 15.00 12 TYR N −39.69 −22.25 73.79 15.00 12 TYR CA −38.48 −23.03 73.51 15.00 12 TYR CB −38.82 −24.26 72.67 15.00 12 TYR CG −39.21 −25.54 73.39 15.00 12 TYR CD1 −40.43 −25.65 74.06 15.00 12 TYR CE1 −40.85 −26.87 74.58 15.00 12 TYR CD2 −38.41 −26.68 73.27 15.00 12 TYR CE2 −38.83 −27.90 73.79 15.00 12 TYR CZ −40.05 −27.98 74.44 15.00 12 TYR OH −40.47 −29.19 74.93 15.00 12 TYR C −37.45 −22.25 72.72 15.00 12 TYR O −36.33 −22.72 72.54 15.00 13 VAL N −37.85 −21.09 72.19 15.00 13 VAL CA −36.94 −20.29 71.37 15.00 13 VAL CB −37.40 −20.32 69.88 15.00 13 VAL CG1 −38.59 −19.43 69.67 15.00 13 VAL CG2 −36.26 −19.93 68.97 15.00 13 VAL C −36.77 −18.86 71.87 15.00 13 VAL O −37.69 −18.26 72.43 15.00 14 THR N −35.55 −18.35 71.69 15.00 14 THR CA −35.15 −17.00 72.11 15.00 14 THR CB −33.72 −17.00 72.67 15.00 14 THR OG1 −32.83 −17.53 71.69 15.00 14 THR CG2 −33.64 −17.86 73.91 15.00 14 THR C −35.21 −15.98 70.97 15.00 14 THR O −35.26 −16.36 69.81 15.00 15 PRO N −35.22 −14.68 71.31 15.00 15 PRO CD −35.25 −14.08 72.65 15.00 15 PRO CA −35.27 −13.64 70.28 15.00 15 PRO CB −35.03 −12.35 71.08 15.00 15 PRO CG −34.46 −12.83 72.43 15.00 15 PRO C −34.23 −13.82 69.17 15.00 15 PRO O −33.14 −14.35 69.41 15.00 16 VAL N −34.60 −13.42 67.96 15.00 16 VAL CA −33.72 −13.53 66.81 15.00 16 VAL CB −34.45 −13.16 65.50 15.00 16 VAL CG1 −33.63 −13.60 64.31 15.00 16 VAL CG2 −35.81 −13.78 65.47 15.00 16 VAL C −32.52 −12.61 66.97 15.00 16 VAL O −32.67 −11.42 67.25 15.00 17 LYS N −31.32 −13.17 66.80 15.00 17 LYS CA −30.09 −12.42 66.91 15.00 17 LYS CB −29.08 −13.18 67.77 15.00 17 LYS CG −29.01 −12.72 69.22 15.00 17 LYS CD −30.27 −13.09 70.02 15.00 17 LYS CE −30.18 −14.48 70.64 15.00 17 LYS NZ −29.12 −14.54 71.68 15.00 17 LYS C −29.49 −12.15 65.54 15.00 17 LYS O −29.82 −12.81 64.56 15.00 18 ASN N −28.62 −11.15 65.49 15.00 18 ASN CA −27.91 −10.77 64.27 15.00 18 ASN CB −28.01 −9.26 64.05 15.00 18 ASN CG −27.09 −8.78 62.94 15.00 18 ASN OD1 −26.98 −9.42 61.89 15.00 18 ASN ND2 −26.38 −7.69 63.19 15.00 18 ASN C −26.45 −11.16 64.43 15.00 18 ASN O −25.79 −10.73 65.37 15.00 19 GLN N −25.94 −11.96 63.51 15.00 19 GLN CA −24.56 −12.40 63.60 15.00 19 GLN CB −24.34 −13.65 62.77 15.00 19 GLN CG −24.88 −13.58 61.37 15.00 19 GLN CD −24.42 −14.73 60.53 15.00 19 GLN OE1 −25.17 −15.28 59.73 15.00 19 GLN NE2 −23.15 −15.09 60.68 15.00 19 GLN C −23.52 −11.35 63.24 15.00 19 GLN O −22.35 −11.49 63.60 15.00 20 GLY N −23.94 −10.31 62.53 15.00 20 GLY CA −23.02 −9.26 62.14 15.00 20 GLY C −22.10 −9.67 61.00 15.00 20 GLY O −22.51 −10.40 60.11 15.00 21 GLN N −20.85 −9.20 61.04 15.00 21 GLN CA −19.86 −9.50 60.01 15.00 21 GLN CB −18.92 −8.30 59.78 15.00 21 GLN CG −19.60 −6.94 59.55 15.00 21 GLN CD −20.68 −6.99 58.49 15.00 21 GLN OE1 −20.49 −7.53 54.41 15.00 21 GLN NE2 −21.85 −6.43 58.81 15.00 21 GLN C −19.03 −10.74 60.38 15.00 21 GLN O −18.02 −11.06 59.74 15.00 22 CYS N −19.41 −11.42 61.44 15.00 22 CYS CA −18.69 −12.60 61.88 15.00 22 CYS C −19.37 −13.86 61.33 15.00 22 CYS O −20.59 −13.94 61.27 15.00 22 CYS CB −18.63 −12.61 63.41 15.00 22 CYS SG −17.84 −14.05 64.16 15.00 23 GLY N −18.58 −14.81 60.84 15.00 23 GLY CA −19.15 −16.03 60.30 15.00 23 GLY C −19.41 −17.03 61.41 15.00 23 GLY O −18.90 −18.15 61.38 15.00 24 SER N −20.22 −16.62 62.37 15.00 24 SER CA −20.56 −17.43 63.53 15.00 24 SER CB −20.36 −16.59 64.79 15.00 24 SER OG −21.14 −15.41 64.68 15.00 24 SER C −21.99 −17.95 63.49 15.00 24 SER O −22.60 −18.20 64.53 15.00 25 CYS N −22.55 −18.14 62.30 15.00 25 CYS CA −23.91 −18.65 62.20 15.00 25 CYS CB −24.41 −18.63 60.75 15.00 25 CYS SG −23.48 −19.60 59.54 15.00 25 CYS C −23.96 −20.05 62.82 15.00 25 CYS O −24.97 −20.45 63.40 15.00 25 INH C1 −27.24 −9.28 57.72 15.00 25 INH C2 −26.55 −9.60 58.90 15.00 25 INH C3 −25.31 −10.22 58.84 15.00 25 INH C4 −24.73 −10.54 57.61 15.00 25 INH C5 −25.43 −10.21 56.44 15.00 25 INH C6 −26.67 −9.59 56.49 15.00 25 INH C7 −23.41 −11.26 57.54 15.00 25 INH O8 −23.43 −12.63 57.98 15.00 25 INH C9 −22.90 −13.56 57.08 15.00 25 INH O10 −21.75 −13.43 56.65 15.00 25 INH C11 −23.40 −15.62 55.77 15.00 25 INH C12 −22.32 −15.20 54.77 15.00 25 INH C13 −22.79 −14.65 53.42 15.00 25 INH C14 −21.66 −14.80 52.41 15.00 25 INH C15 −24.07 −15.33 52.91 15.00 25 INH C16 −23.13 −17.06 56.23 15.00 25 INH O17 −23.79 −17.98 55.74 15.00 25 INH N18 −22.17 −17.29 57.12 15.00 25 INH C19 −21.81 −18.63 57.60 15.00 25 INH N20 −23.72 −14.55 56.73 15.00 25 INH C21 −21.96 −18.81 59.10 15.00 25 INH O22 −21.89 −17.72 59.66 15.00 25 INH C23 −19.42 −29.07 54.27 15.00 25 INH C24 −20.11 −28.05 54.90 15.00 25 INH C25 −19.45 −26.88 55.23 15.00 25 INH C26 −18.09 −26.70 54.93 15.00 25 INH C27 −17.41 −27.74 54.30 15.00 25 INH C28 −18.06 −28.92 53.96 15.00 25 INH C29 −17.39 −25.41 55.26 15.00 25 INH O30 −18.05 −24.15 55.06 15.00 25 INH C31 −19.20 −23.80 55.81 15.00 25 INH O32 −20.33 −23.84 55.32 15.00 25 INH C33 −20.15 −23.05 57.92 15.00 25 INH C34 −20.47 −24.13 58.95 15.00 25 INH C35 −21.49 −25.18 58.56 15.00 25 INH C36 −22.36 −24.69 57.40 15.00 25 INH C37 −20.73 −26.42 58.16 15.00 25 INH C38 −19.89 −21.74 58.63 15.00 25 INH O39 −18.75 −21.39 58.90 15.00 25 INH N40 −20.97 −21.01 58.95 15.00 25 INH C41 −20.91 −19.72 59.64 15.00 25 INH N42 −19.01 −23.44 57.08 15.00 26 TRP N −22.84 −20.77 62.76 15.00 26 TRP CA −22.76 −22.11 63.33 15.00 26 TRP CB −21.47 −22.81 62.88 15.00 26 TRP CG −20.24 −22.16 63.40 15.00 26 TRF CD2 −19.56 −22.46 64.62 15.00 26 TRP CE2 −18.51 −21.53 64.75 15.00 26 TRP CE3 −19.74 −23.42 65.63 15.00 26 TRP CD1 −19.59 −21.11 62.84 15.00 26 TRP NE1 −18.55 −20.72 63.65 15.00 26 TRP CZ2 −17.64 −21.52 65.85 15.00 26 TRP CZ3 −18.88 −23.42 66.72 15.00 26 TRP CH2 −17.84 −22.47 66.82 15.00 26 TRP C −22.82 −22.02 64.87 15.00 26 TRP O −23.31 −22.93 65.53 15.00 27 ALA N −22.34 −20.92 65.44 15.00 27 ALA CA −22.36 −20.73 66.89 15.00 27 ALA CB −21.43 −19.61 67.30 15.00 27 ALA C −23.79 −20.43 67.32 15.00 27 ALA O −24.29 −21.00 68.29 15.00 28 PHE N −24.48 −19.57 66.58 15.00 28 PHE CA −25.85 −19.25 66.92 15.00 28 PHE CB −26.38 −18.14 66.01 15.00 28 PHE CG −25.87 −16.78 66.39 15.00 28 PHE CD1 −24.63 −16.33 65.94 15.00 28 PHE CD2 −26.61 −15.96 67.22 15.00 28 PHE CE1 −24.14 −15.10 66.33 15.00 28 PHE CE2 −26.11 −14.72 67.62 15.00 28 PHE CZ −24.88 −14.29 67.17 15.00 28 PHE C −26.73 −20.49 66.83 15.00 28 PHE O −27.48 −20.80 67.75 15.00 29 SER N −26.60 −21.24 65.74 15.00 29 SER CA −27.36 −22.46 65.54 15.00 29 SER CB −26.91 −23.14 64.25 15.00 29 SER OG −27.55 −24.39 64.08 15.00 29 SER C −27.17 −23.43 66.70 15.00 29 SER O −28.14 −23.89 67.30 15.00 30 SER N −25.91 −23.75 67.01 15.00 30 SER CA −25.57 −24.67 68.09 15.00 30 SER CB −24.06 −24.68 68.33 15.00 30 SER OG −23.33 −25.06 67.19 15.00 30 SER C −26.28 −24.24 69.38 15.00 30 SER O −27.01 −25.02 70.01 15.00 31 VAL N −26.09 −22.97 69.73 15.00 31 VAL CA −26.67 −22.39 70.93 15.00 31 VAL CB −26.13 −20.95 71.14 15.00 31 VAL CG1 −27.14 −20.07 71.79 15.00 31 VAL CG2 −24.87 −20.99 71.99 15.00 31 VAL C −28.21 −22.46 70.89 15.00 31 VAL O −28.86 −22.68 71.92 15.00 32 GLY N −28.79 −22.36 69.70 15.00 32 GLY CA −30.23 −22.42 69.58 15.00 32 GLY C −30.77 −23.77 69.99 15.00 32 GLY O −31.84 −23.88 70.58 15.00 33 ALA N −30.04 −24.83 69.66 15.00 33 ALA CA −30.46 −26.18 70.01 15.00 33 ALA CB −29.67 −27.20 69.23 15.00 33 ALA C −30.27 −26.36 71.50 15.00 33 ALA O −31.10 −26.99 72.17 15.00 34 LEU N −29.20 −25.80 72.04 15.00 34 LEU CA −28.91 −25.88 73.47 15.00 34 LEU CB −27.55 −25.25 73.77 15.00 34 LEU CG −26.35 −26.14 73.47 15.00 34 LEU CD1 −25.07 −25.37 73.60 15.00 34 LEU CD2 −26.34 −27.30 74.42 15.00 34 LEU C −30.00 −25.20 74.29 15.00 34 LEU O −30.37 −25.66 75.38 15.00 35 GLU N −30.56 −24.10 73.78 15.00 35 GLU CA −31.61 −23.39 74.49 15.00 35 GLU CB −31.82 −22.00 73.88 15.00 35 GLU CG −30.62 −21.08 74.05 15.00 35 GLU CD −30.60 −19.92 73.08 15.00 35 GLU OE1 −31.49 −19.83 72.21 15.00 35 GLU OE2 −29.66 −19.10 73.17 15.00 35 GLU C −32.91 −24.18 74.47 15.00 35 GLU O −33.62 −24.26 75.47 15.00 36 GLY N −33.21 −24.80 73.33 15.00 36 GLY CA −34.43 −25.58 73.22 15.00 36 GLY C −34.49 −26.72 74.22 15.00 36 GLY O −35.52 −26.94 74.86 15.00 37 GLN N −33.38 −27.43 74.36 15.00 37 GLN CA −33.27 −28.55 75.29 15.00 37 GLN CB −31.99 −29.34 75.02 15.00 37 GLN CG −32.04 −30.08 73.69 15.00 37 GLN CD −33.27 −30.95 73.58 15.00 37 GLN OE1 −33.55 −31.77 74.45 15.00 37 GLN NE2 −34.04 −30.77 72.52 15.00 37 GLN C −33.31 −28.07 76.74 15.00 37 GLN O −33.94 −28.69 77.60 15.00 38 LEU N −32.66 −26.94 77.00 15.00 38 LEU CA −32.66 −26.34 78.34 15.00 38 LEU CB −31.99 −24.97 78.30 15.00 38 LEU CG −31.70 −24.28 79.63 15.00 38 LEU CD1 −30.58 −25.02 80.35 15.00 38 LEU CD2 −31.32 −22.84 79.40 15.00 38 LEU C −34.11 −26.19 78.79 15.00 38 LEU O −34.52 −26.71 79.82 15.00 39 LYS N −34.91 −25.51 77.97 15.00 39 LYS CA −36.31 −25.29 78.27 15.00 39 LYS CB −36.98 −24.53 77.12 15.00 39 LYS CG −38.48 −24.37 77.25 15.00 39 LYS CD −38.89 −23.62 78.49 15.00 39 LYS CE −40.38 −23.44 78.51 15.00 39 LYS NZ −40.84 −22.84 79.78 15.00 39 LYS C −37.01 −26.62 78.50 15.00 39 LYS O −37.78 −26.76 79.44 15.00 40 LYS N −36.70 −27.62 77.68 15.00 40 LYS CA −37.32 −28.93 77.83 15.00 40 LYS CB −36.78 −29.89 76.76 15.00 40 LYS CG −37.56 −31.18 76.57 15.00 40 LYS CD −36.89 −32.09 75.54 15.00 40 LYS CE −37.73 −33.32 75.24 15.00 40 LYS NZ −39.05 −32.97 74.63 15.00 40 LYS C −37.07 −29.52 79.22 15.00 40 LYS O −38.00 −29.92 79.93 15.00 41 LYS N −35.80 −29.51 79.64 15.00 41 LYS CA −35.41 −30.07 80.92 15.00 41 LYS CB −33.92 −30.40 80.91 15.00 41 LYS CG −33.48 −31.19 79.67 15.00 41 LYS CD −34.36 −32.41 79.42 15.00 41 LYS CE −34.05 −33.08 78.08 15.00 41 LYS NZ −34.99 −34.21 77.78 15.00 41 LYS C −35.76 −29.21 82.13 15.00 41 LYS O −36.58 −29.61 82.96 15.00 42 THR N −35.17 −28.02 82.25 15.00 42 THR CA −35.41 −27.14 83.39 15.00 42 THR CB −34.27 −26.12 83.52 15.00 42 THR OG1 −34.29 −25.25 82.38 15.00 42 THR CG2 −32.94 −26.82 83.57 15.00 42 THR C −36.72 −26.37 83.39 15.00 42 THR O −37.10 −25.79 84.41 15.00 43 GLY N −37.40 −26.33 82.25 15.00 43 GLY CA −38.65 −25.60 82.15 15.00 43 GLY C −38.47 −24.08 82.03 15.00 43 GLY O −39.43 −23.33 81.98 15.00 44 LYS N −37.24 −23.57 82.01 15.00 44 LYS CA −37.05 −22.13 81.89 15.00 44 LYS CB −36.55 −21.53 83.20 15.00 44 LYS CG −37.49 −21.67 84.38 15.00 44 LYS CD −36.91 −20.99 85.61 15.00 44 LYS CE −35.68 −21.70 86.11 15.00 44 LYS NZ −36.03 −23.03 86.65 15.00 44 LYS C −36.05 −21.83 80.80 15.00 44 LYS O −35.00 −22.48 80.70 15.00 45 LEU N −36.39 −20.84 79.97 15.00 45 LEU CA −35.55 −20.41 78.86 15.00 45 LEU CB −36.43 −19.88 77.73 15.00 45 LEU CG −35.82 −19.71 76.33 15.00 45 LEU CD1 −35.62 −21.08 75.69 15.00 45 LEU CD2 −36.74 −18.87 75.48 15.00 45 LEU C −34.58 −19.34 79.32 15.00 45 LEU O −34.92 −18.47 80.13 15.00 46 LEU N −33.36 −19.39 78.80 15.00 46 LEU CA −32.32 −18.44 79.15 15.00 46 LEU CB −31.47 −19.02 80.28 15.00 46 LEU CG −30.58 −18.14 81.17 15.00 46 LEU CD1 −29.23 −17.96 80.55 15.00 46 LEU CD2 −31.23 −16.81 81.44 15.00 46 LEU C −31.51 −18.26 77.86 15.00 46 LEU O −31.48 −19.15 77.01 15.00 47 ASN N −30.92 −17.08 77.67 15.00 47 ASN CA −30.14 −16.82 76.47 15.00 47 ASN CB −30.22 −15.35 76.06 15.00 47 ASN CG −31.33 −15.09 76.06 15.00 47 ASN OD1 −32.44 −14.74 75.43 15.00 47 ASN ND2 −31.04 −15.28 73.78 15.00 47 ASN C −28.69 −17.26 76.64 15.00 47 ASN O −27.98 −16.75 77.50 15.00 48 LEU N −28.27 −18.21 75.82 15.00 48 LEU CA −26.92 −18.73 75.89 15.00 48 LEU CB −26.89 −20.21 75.51 15.00 48 LEU CG −27.53 −21.15 76.55 15.00 48 LEU CD1 −27.34 −22.60 76.17 15.00 48 LEU CD2 −26.88 −20.92 77.88 15.00 48 LEU C −25.93 −17.89 75.07 15.00 48 LEU O −26.32 −17.11 74.20 15.00 49 SER N −24.64 −18.08 75.35 15.00 49 SER CA −23.56 −17.34 74.70 15.00 49 SER CB −22.47 −17.07 75.75 15.00 49 SER OG −21.31 −16.50 75.18 15.00 49 SER C −22.92 −17.91 73.43 15.00 49 SER O −22.16 −18.88 73.48 15.00 50 PRO N −23.22 −17.30 72.26 15.00 50 PRO CD −24.28 −16.31 72.02 15.00 50 PRO CA −22.65 −17.75 70.98 15.00 50 PRO CB −23.42 −16.92 69.95 15.00 50 PRO CG −24.70 −16.64 70.62 15.00 50 PRO C −21.16 −17.38 70.95 15.00 50 PRO O −20.34 −18.08 70.35 15.00 51 GLN N −20.81 −16.27 71.59 15.00 51 GLN CA −19.43 −15.80 71.65 15.00 51 GLN CB −19.35 −14.43 72.34 15.00 51 GLN CG −17.95 −13.79 72.39 15.00 51 GLN CD −17.46 −13.23 71.05 15.00 51 GLN OE1 −18.21 −12.62 70.30 15.00 51 GLN NE2 −16.19 −13.42 70.77 15.00 51 GLN C −18.58 −16.83 72.38 15.00 51 GLN O −17.46 −17.15 71.96 15.00 52 ASN N −19.13 −17.42 73.44 15.00 52 ASN CA −18.41 −18.42 74.24 15.00 52 ASN CB −19.31 −18.96 75.35 15.00 52 ASN CG −18.59 −19.90 76.31 15.00 52 ASN OD1 −19.23 −20.62 77.07 15.00 52 ASN ND2 −17.27 −19.89 76.28 15.00 52 ASN C −17.91 −19.55 73.35 15.00 52 ASN O −16.84 −20.12 73.59 15.00 53 LEU N −18.67 −19.86 72.31 15.00 53 LEU CA −18.33 −20.90 71.35 15.00 53 LEU CB −19.58 −21.37 70.60 15.00 53 LEU CG −20.63 −22.10 71.42 15.00 53 LEU CD1 −21.81 −22.44 70.55 15.00 53 LEU CD2 −20.01 −23.36 72.01 15.00 53 LEU C −17.31 −20.42 70.34 15.00 53 LEU O −16.37 −21.13 69.99 15.00 54 VAL N −17.52 −19.19 69.87 15.00 54 VAL CA −16.66 −18.57 68.87 15.00 54 VAL CB −17.16 −17.14 68.56 15.00 54 VAL CG1 −16.22 −16.45 67.59 15.00 54 VAL CG2 −18.57 −17.20 68.00 15.00 54 VAL C −15.20 −18.52 69.30 15.00 54 VAL O −14.31 −18.88 68.53 15.00 55 ASP N −14.96 −18.09 70.54 15.00 55 ASP CA −13.61 −17.98 71.07 15.00 55 ASP CB −13.58 −16.93 72.18 15.00 55 ASP CG −14.14 −15.59 71.76 15.00 55 ASP OD1 −14.26 −15.33 70.55 15.00 55 ASP OD2 −14.45 −14.78 72.67 15.00 55 ASP C −13.02 −19.26 71.65 15.00 55 ASP O −11.80 −19.39 71.72 15.00 56 CYS N −13.86 −20.19 72.09 15.00 56 CYS CA −13.36 −21.41 72.73 15.00 56 CYS C −13.29 −22.71 71.94 15.00 56 CYS O −12.43 −23.55 72.20 15.00 56 CYS CB −14.10 −21.61 74.04 15.00 56 CYS SG −14.21 −20.10 75.06 15.00 57 VAL N −14.17 −22.93 70.96 15.00 57 VAL CA −14.13 −24.17 70.18 15.00 57 VAL CB −15.44 −24.43 69.39 15.00 57 VAL CG1 −15.38 −25.80 68.73 15.00 57 VAL CG2 −16.63 −24.33 70.30 15.00 57 VAL C −12.97 −24.10 69.19 15.00 57 VAL O −13.17 −23.81 68.02 15.00 58 SER N −11.76 −24.40 69.66 15.00 58 SER CA −10.57 −24.35 68.82 15.00 58 SER CB −9.34 −24.73 69.63 15.00 58 SER OG −9.44 −26.08 70.07 15.00 58 SER C −10.65 −25.25 67.61 15.00 58 SER O −9.90 −25.09 66.65 15.00 59 GLU N −11.53 −26.25 67.65 15.00 59 GLU CA −11.69 −27.16 66.53 15.00 59 GLU CB −12.57 −28.35 66.92 15.00 59 GLU CG −12.00 −29.23 68.00 15.00 59 GLU CD −11.98 −28.56 69.36 15.00 59 GLU OE1 −13.00 −27.95 69.73 15.00 59 GLU OE2 −10.95 −28.66 70.06 15.00 59 GLU C −12.30 −26.41 65.35 15.00 59 GLU O −12.28 −26.89 64.22 15.00 60 ASN N −12.89 −25.26 65.63 15.00 60 ASN CA −13.53 −24.45 64.61 15.00 60 ASN CB −14.95 −24.06 65.03 15.00 60 ASN CG −15.92 −25.21 64.90 15.00 60 ASN OD1 −17.09 −25.08 65.23 15.00 60 ASN ND2 −15.45 −26.34 64.38 15.00 60 ASN C −12.71 −23.22 64.26 15.00 60 ASN O −11.73 −22.92 64.93 15.00 61 ASP N −13.13 −22.50 63.23 15.00 61 ASP CA −12.41 −21.34 62.75 15.00 61 ASP CB −12.53 −21.28 61.22 15.00 61 ASP CG −11.20 −21.01 60.53 15.00 61 ASP OD1 −10.34 −20.32 61.12 15.00 61 ASP OD2 −11.03 −21.49 59.40 15.00 61 ASP C −12.80 −19.99 63.35 15.00 61 ASP O −12.23 −18.95 62.99 15.00 62 GLY N −13.75 −19.97 64.28 15.00 62 GLY CA −14.17 −18.71 64.87 15.00 62 GLY C −15.12 −18.03 63.91 15.00 62 GLY O −16.13 −18.61 63.51 15.00 63 CYS N −14.80 −16.81 63.48 15.00 63 CYS CA −15.65 −16.09 62.52 15.00 63 CYS C −15.45 −16.63 61.12 15.00 63 CYS O −16.10 −16.16 60.18 15.00 63 CYS CB −15.34 −14.59 62.52 15.00 63 CYS SG −15.84 −13.72 64.03 15.00 64 GLY N −14.52 −17.56 60.95 15.00 64 GLY CA −14.26 −18.14 59.65 15.00 64 GLY C −15.17 −19.33 59.40 15.00 64 GLY O −15.50 −19.67 58.26 15.00 65 GLY N −15.60 −19.99 60.48 15.00 65 GLY CA −16.47 −21.14 60.33 15.00 65 GLY C −16.39 −22.20 61.41 15.00 65 GLY O −15.56 −22.15 62.31 15.00 66 GLY N −17.28 −23.18 61.30 15.00 66 GLY CA −17.31 −24.25 62.27 15.00 66 GLY C −18.50 −25.16 62.14 15.00 66 GLY O −19.48 −24.83 61.48 15.00 67 TYR N −18.43 −26.32 62.78 15.00 67 TYR CA −19.51 −27.30 62.74 15.00 67 TYR CB −18.97 −28.70 62.45 15.00 67 TYR CG −18.28 −28.86 61.12 15.00 67 TYR CD1 −19.02 −29.00 59.94 15.00 67 TYR CE1 −18.40 −29.23 58.72 15.00 67 TYR CD2 −16.90 −28.94 61.04 15.00 67 TYR CE2 −16.26 −29.16 59.82 15.00 67 TYR CZ −17.02 −29.31 58.67 15.00 67 TYR OH −16.39 −29.51 57.46 15.00 67 TYR C −20.17 −27.29 64.10 15.00 67 TYR O −19.48 −27.14 65.12 15.00 68 MET N −21.48 −27.47 64.12 15.00 68 MET CA −22.26 −27.48 65.36 15.00 68 MET CB −23.76 −27.60 65.07 15.00 68 MET CG −24.38 −26.42 64.29 15.00 68 MET SD −23.94 −26.32 62.55 15.00 68 MET CE −25.16 −27.35 61.83 15.00 68 MET C −21.81 −28.62 66.27 15.00 68 MET O −21.63 −28.43 67.47 15.00 69 THR N −21.58 −29.79 65.68 15.00 69 THR CA −21.15 −30.96 66.43 15.00 69 THR CB −20.90 −32.18 65.50 15.00 69 THR OG1 −20.04 −31.81 64.42 15.00 69 THR CG2 −22.21 −32.71 64.94 15.00 69 THR C −19.90 −30.65 67.25 15.00 69 THR O −19.80 −31.06 68.41 15.00 70 ASN N −18.98 −29.86 66.69 15.00 70 ASN CA −17.74 −29.49 67.37 15.00 70 ASN CB −16.79 −28.76 66.42 15.00 70 ASN CG −16.05 −29.71 65.50 15.00 70 ASN OD1 −14.84 −29.64 65.39 15.00 70 ASN ND2 −16.78 −30.58 64.83 15.00 70 ASN C −18.01 −28.62 68.59 15.00 70 ASN O −17.32 −28.74 69.60 15.00 71 ALA N −19.03 −27.77 68.48 15.00 71 ALA CA −19.43 −26.88 69.56 15.00 71 ALA CB −20.37 −25.81 69.04 15.00 71 ALA C −20.12 −27.68 70.67 15.00 71 ALA O −20.03 −27.32 71.84 15.00 72 PHE N −20.85 −28.72 70.28 15.00 72 PHE CA −21.54 −29.59 71.22 15.00 72 PHE CB −22.36 −30.65 70.47 15.00 72 PHE CG −23.54 −30.11 69.74 15.00 72 PHE CD1 −24.28 −29.06 70.24 15.00 72 PHE CD2 −23.91 −30.66 68.53 15.00 72 PHE CE1 −25.36 −28.56 69.55 15.00 72 PHE CE2 −25.00 −30.17 67.83 15.00 72 PHE CZ −25.72 −29.12 68.34 15.00 72 PHE C −20.46 −30.29 72.05 15.00 72 PHE O −20.43 −30.18 73.28 15.00 73 GLN N −19.58 −30.98 71.34 15.00 73 GLN CA −18.47 −31.71 71.92 15.00 73 GLN CB −17.53 −32.13 70.78 15.00 73 GLN CG −16.60 −33.30 71.06 15.00 73 GLN CD −17.31 −34.63 71.03 15.00 73 GLN OE1 −17.80 −35.13 72.06 15.00 73 GLN NE2 −17.35 −35.25 69.85 15.00 73 GLN C −17.74 −30.81 72.93 15.00 73 GLN O −17.27 −31.26 73.97 15.00 74 TYR N −17.66 −29.51 72.63 15.00 74 TYR CA −17.00 −28.57 73.51 15.00 74 TYR CB −16.75 −27.21 72.81 15.00 74 TYR CG −16.41 −26.08 73.77 15.00 74 TYR CD1 −15.19 −26.05 74.43 15.00 74 TYR CE1 −14.91 −25.06 75.37 15.00 74 TYR CD2 −17.34 −25.09 74.06 15.00 74 TYR CE2 −17.07 −24.10 75.00 15.00 74 TYR CZ −15.86 −24.09 75.66 15.00 74 TYR OH −15.60 −23.15 76.63 15.00 74 TYR C −17.75 −28.36 74.82 15.00 74 TYR O −17.14 −28.37 75.89 15.00 75 VAL N −19.07 −28.16 74.78 15.00 75 VAL CA −19.85 −27.94 76.02 15.00 75 VAL CB −21.30 −27.45 75.73 15.00 75 VAL CG1 −22.06 −27.23 77.04 15.00 75 VAL CG2 −21.27 −26.15 74.92 15.00 75 VAL C −19.87 −29.20 76.91 15.00 75 VAL O −20.07 −29.13 78.12 15.00 76 GLN N −19.65 −30.35 76.29 15.00 76 GLN CA −19.62 −31.60 77.01 15.00 76 GLN CB −19.93 −32.73 76.04 15.00 76 GLN CG −20.02 −34.11 76.67 15.00 76 GLN CD −19.74 −35.20 75.68 15.00 76 GLN OE1 −20.14 −35.11 74.52 15.00 76 GLN NE2 −19.01 −36.22 76.11 15.00 76 GLN C −18.25 −31.81 77.66 15.00 76 GLN O −18.14 −32.17 78.85 15.00 77 LYS N −17.18 −31.59 76.89 15.00 77 LYS CA −15.82 −31.78 77.39 15.00 77 LYS CB −14.83 −31.98 76.24 15.00 77 LYS CG −14.56 −30.75 75.41 15.00 77 LYS CD −13.69 −31.09 74.19 15.00 77 LYS CE −14.41 −32.05 73.24 15.00 77 LYS NZ −13.62 −32.45 72.02 15.00 77 LYS C −15.34 −30.65 78.29 15.00 77 LYS O −14.37 −30.81 79.01 15.00 78 ASN N −15.97 −29.49 78.22 15.00 78 ASN CA −15.60 −28.37 79.07 15.00 78 ASN CB −15.58 −27.07 78.27 15.00 78 ASN CG −15.38 −25.85 79.16 15.00 78 ASN OD1 −14.28 −25.58 79.64 15.00 78 ASN ND2 −16.45 −25.11 79.37 15.00 78 ASN C −16.62 −28.28 80.20 15.00 78 ASN O −16.36 −27.67 81.23 15.00 79 ARG N −17.77 −28.91 79.97 15.00 79 ARG CA −18.89 −28.98 80.92 15.00 79 ARG CB −18.58 −29.92 82.11 15.00 79 ARG CG −17.47 −29.49 83.06 15.00 79 ARG CD −16.62 −30.66 83.51 15.00 79 ARG NE −17.44 −31.76 84.00 15.00 79 ARB CZ −17.90 −32.75 83.23 15.00 79 ARG NH1 −17.60 −32.77 81.93 15.00 79 ARG NH2 −18.73 −33.66 83.74 15.00 79 ARG C −19.45 −27.65 81.39 15.00 79 ARG O −19.42 −27.31 82.57 15.00 80 GLY N −20.00 −26.92 80.44 15.00 80 GLY CA −20.58 −25.63 80.75 15.00 80 GLY C −20.41 −24.62 79.63 15.00 80 GLY O −19.39 −24.61 78.93 15.00 81 ILE N −21.44 −23.82 79.44 15.00 81 ILE CA −21.45 −22.77 78.45 15.00 81 ILE CB −22.27 −23.14 77.21 15.00 81 ILE CG2 −23.71 −23.46 77.59 15.00 81 ILE CG1 −22.18 −22.01 76.17 15.00 81 8LE CD1 −22.74 −22.34 74.79 15.00 81 ILE C −22.09 −21.59 79.18 15.00 81 ILE O −23.08 −21.77 79.89 15.00 82 ASP N −21.48 −20.42 79.06 15.00 82 ASP CA −21.99 −19.22 79.72 15.00 82 ASP CB −20.95 −18.10 79.68 15.00 82 ASP CG −19.75 −18.37 80.56 15.00 82 ASP OD1 −18.66 −17.89 80.20 15.00 82 ASP OD2 −19.89 −19.03 81.62 15.00 82 ASP C −23.27 −18.70 79.09 15.00 82 ASP O −23.67 −19.11 78.01 15.00 83 SER N −23.91 −17.78 79.79 15.00 83 SER CA −25.12 −17.15 79.30 15.00 83 SER CB −26.03 −16.79 80.46 15.00 83 SER OG −25.32 −16.05 81.44 15.00 83 SER C −24.66 −15.90 78.58 15.00 83 SER O −23.49 −15.51 78.67 15.00 84 GLU N −25.57 −15.24 77.87 15.00 84 GLU CA −25.22 −14.02 77.16 15.00 84 GLU CB −26.40 −13.50 76.35 15.00 84 GLU CG −26.09 −12.30 76.46 15.00 84 GLU CD −25.06 −12.58 74.36 15.00 84 GLU OE1 −25.03 −13.69 73.78 15.00 84 GLU OE2 −24.28 −11.66 74.06 15.00 84 GLU C −24.70 −12.95 78.14 15.00 84 GLU O −23.64 −12.37 77.92 15.00 85 ASP N −25.41 −12.69 79.23 15.00 85 ASP CA −24.95 −11.70 80.20 15.00 85 ASP CB −25.99 −11.46 81.31 15.00 85 ASP CG −25.59 −10.32 82.30 15.00 85 ASP OD1 −26.24 −10.19 83.38 15.00 85 ASP OD2 −24.66 −9.54 82.02 15.00 85 ASP C −23.63 −12.15 80.82 15.00 85 ASP O −22.86 −11.34 81.34 15.00 86 ALA N −23.31 −13.44 80.74 15.00 86 ALA CA −22.07 −13.91 81.32 15.00 86 ALA CB −22.24 −15.30 81.86 15.00 86 ALA C −20.90 −13.85 80.35 15.00 86 ALA O −19.74 −13.84 80.76 15.00 87 TYR N −21.19 −13.82 79.05 15.00 87 TYR CA −20.14 −13.77 78.03 15.00 87 TYR CB −19.67 −15.20 77.77 15.00 87 TYR CG −18.31 −15.36 77.13 15.00 87 TYR CD1 −17.86 −14.49 76.13 15.00 87 TYR CE1 −16.64 −14.70 75.51 15.00 87 TYR CD2 −17.49 −16.43 77.48 15.00 87 TYR CE2 −16.27 −16.64 76.86 15.00 87 TYR CZ −15.85 −15.78 75.88 15.00 87 TYR OH −14.65 −16.03 75.26 15.00 87 TYR C −20.73 −13.17 76.75 15.00 87 TYR O −20.92 −13.88 76.76 15.00 88 PRO N −20.99 −11.84 76.74 15.00 88 PRO CD −20.79 −10.92 77.87 15.00 88 PRO CA −21.57 −11.12 75.60 15.00 88 PRO CB −21.52 −9.66 76.07 15.00 88 PRO CG −21.75 −9.80 77.54 15.00 88 PRO C −20.91 −11.29 74.24 15.00 88 PRO O −19.71 −11.56 74.13 15.00 89 TYR N −21.72 −11.10 73.21 15.00 89 TYR CA −21.30 −11.23 71.83 15.00 89 TYR CB −22.51 −11.59 70.96 15.00 89 TYR CG −22.16 −12.03 69.56 15.00 89 TYR CD1 −21.27 −13.09 69.35 15.00 89 TYR CE1 −20.90 −13.46 68.07 15.00 89 TYR CD2 −22.67 −11.37 68.45 15.00 89 TYR CE2 −22.31 −11.74 67.17 15.00 89 TYR CZ −21.42 −12.78 66.98 15.00 89 TYR OH −21.02 −13.12 65.72 15.00 89 TYR C −20.67 −9.90 71.38 15.00 89 TYR O −21.33 −8.86 71.36 15.00 90 VAL N −19.38 −9.93 71.05 15.00 90 VAL CA −18.66 −8.73 70.61 15.00 90 VAL CB −17.25 −8.65 71.22 15.00 90 VAL CG1 −17.32 −8.67 72.73 15.00 90 VAL CG2 −16.37 −9.78 70.68 15.00 90 VAL C −18.54 −8.62 69.11 15.00 90 VAL O −17.85 −7.75 68.61 15.00 91 GLY N −19.14 −9.55 68.39 15.00 91 GLY CA −19.10 −9.49 66.94 15.00 91 GLY C −17.76 −9.77 66.31 15.00 91 GLY O −17.52 −9.39 65.15 15.00 92 GLN N −16.88 −10.44 67.03 15.00 92 GLN CA −15.56 −10.77 66.50 15.00 92 GLN CB −14.74 −9.51 66.31 15.00 92 GLN CG −14.49 −8.76 67.60 15.00 92 GLN CD −13.93 −7.40 67.35 15.00 92 GLN OE1 −12.83 −7.06 67.80 15.00 92 GLN NE2 −14.67 −6.59 66.60 15.00 92 GLN C −14.81 −11.73 67.41 15.00 92 GLN O −15.19 −11.95 68.57 15.00 93 GLU N −13.72 −12.26 66.89 15.00 93 GLU CA −12.90 −13.22 67.59 15.00 93 GLU CB −12.01 −13.95 66.59 15.00 93 GLU CG −12.77 −14.60 65.42 15.00 93 GLU CD −11.84 −15.07 64.31 15.00 93 GLU OE1 −10.67 −15.37 64.62 15.00 93 GLU OE2 −12.27 −15.13 63.13 15.00 93 GLU C −12.05 −12.56 68.66 15.00 93 GLU O −11.53 −11.46 68.49 15.00 94 GLU N −11.92 −13.25 69.78 15.00 94 GLU CA −11.13 −12.78 70.91 15.00 94 GLU CB −11.93 −11.79 71.76 15.00 94 GLU CG −13.39 −12.15 71.95 15.00 94 GLU CD −14.00 −11.50 73.18 15.00 94 GLU OE1 −14.15 −10.26 73.18 15.00 94 GLU OE2 −14.31 −12.24 74.14 15.00 94 GLU C −10.73 −13.98 71.74 15.00 94 GLU O −11.15 −15.10 71.47 15.00 95 SER N −9.88 −13.75 72.73 15.00 95 SER CA −9.40 −14.80 73.61 15.00 95 SER CB −8.39 −14.21 74.60 15.00 95 SER OG −7.22 −13.77 73.94 15.00 95 SER C −10.57 −15.44 74.35 15.00 95 SER O −11.48 −14.73 74.82 15.00 95 CYS N −10.55 −16.77 74.42 15.00 96 CYS CA −11.59 −17.52 75.13 15.00 96 CYS C −11.61 −17.01 76.56 15.00 96 CYS O −10.57 −16.90 77.21 15.00 96 CYS CB −11.31 −19.03 75.08 15.00 96 CYS SG −12.44 −20.07 76.07 15.00 97 MET N −12.80 −16.65 77.03 15.00 97 MET CA −12.96 −16.09 78.36 15.00 97 MET CB −13.24 −14.58 78.26 15.00 97 MET CG −12.05 −13.75 77.73 15.00 97 MET SD −12.56 −12.29 76.76 15.00 97 MET CE −13.48 −11.34 78.03 15.00 97 MET C −14.07 −16.78 79.14 15.00 97 MET O −14.87 −16.11 79.82 15.00 98 TYR N −14.13 −18.10 79.07 15.00 98 TYR CA −15.15 −18.84 79.78 15.00 98 TYR CB −15.00 −20.35 79.61 15.00 98 TYR CG −16.06 −21.14 80.35 15.00 98 TYR CD1 −17.39 −21.10 79.94 15.00 98 TYR CE1 −18.38 −21.80 80.65 15.00 98 TYR CD2 −15.74 −21.90 81.48 15.00 98 TYR CE2 −16.72 −22.60 82.18 15.00 98 TYR CZ −18.03 −22.54 81.76 15.00 98 TYR OH −19.00 −23.23 82.44 15.00 98 TYR C −15.08 −18.52 81.26 15.00 98 TYR O −14.04 −18.68 81.89 15.00 99 ASN N −16.19 −18.01 81.79 15.00 99 ASN CA −16.31 −17.67 83.19 15.00 99 ASN CB −16.96 −16.29 83.38 15.00 99 ASN CG −17.25 −15.98 84.84 15.00 99 ASN OD1 −16.67 −16.58 85.75 15.00 99 ASN ND2 −18.19 −15.06 85.07 15.00 99 ASN C −17.20 −18.74 83.81 15.00 99 ASN O −18.44 −18.61 83.82 15.00 100 PRO N −16.59 −19.79 84.39 15.00 100 PRO CD −15.15 −19.84 84.68 15.00 100 PRO CA −17.29 −20.92 85.02 15.00 100 PRO CB −16.19 −21.58 85.86 15.00 100 PRO CG −15.15 −20.47 86.03 15.00 100 PRO C −18.50 −20.55 85.87 15.00 100 PRO O −19.48 −21.29 85.92 15.00 101 THR N −18.46 −19.40 86.53 15.00 101 THR CA −19.58 −19.00 87.37 15.00 101 THR CB −19.22 −17.77 88.22 15.00 101 THR OG1 −18.93 −16.65 87.36 15.00 101 THR CG2 −17.99 −18.06 89.08 15.00 101 THR C −20.81 −18.70 86.52 15.00 101 THR O −21.94 −19.07 86.88 15.00 102 GLY N −20.59 −18.06 85.37 15.00 102 GLY CA −21.68 −17.73 84.47 15.00 102 GLY C −22.27 −18.92 83.72 15.00 102 GLY O −23.16 −18.73 82.87 15.00 103 LYS N −21.80 −20.14 84.00 15.00 103 LYS CA −22.32 −21.34 83.33 15.00 103 LYS CB −21.70 −22.60 83.93 15.00 103 LYS CG −22.23 −23.88 83.33 15.00 103 LYS CD −21.78 −25.11 84.11 15.00 103 LYS CE −22.56 −25.26 85.40 15.00 103 LYS NZ −24.02 −25.47 85.12 15.00 103 LYS C −23.83 −21.42 83.45 15.00 103 LYS O −24.39 −21.26 84.53 15.00 104 ALA N −24.50 −21.68 82.34 15.00 104 ALA CA −25.96 −21.77 82.34 15.00 104 ALA CB −26.56 −20.57 81.61 15.00 104 ALA C −26.48 −23.97 81.73 15.00 104 ALA O −27.69 −23.30 81.71 15.00 105 ALA N −25.59 −23.92 81.24 15.00 105 ALA CA −26.02 −25.18 80.65 15.00 105 ALA CB −26.71 −24.94 79.31 15.00 105 ALA C −24.89 −26.20 80.49 15.00 105 ALA O −23.72 −25.84 80.50 15.00 106 LYS N −25.28 −27.46 80.37 15.00 106 LYS CA −24.36 −28.59 80.21 15.00 106 LYS CB −24.28 −29.40 81.51 15.00 106 LYS CG −23.38 −28.89 82.62 15.00 106 LYS CD −23.65 −29.73 83.87 15.00 106 LYS CE −22.48 −29.72 84.85 15.00 106 LYS NZ −21.33 −30.54 84.36 15.00 106 LYS C −24.99 −29.49 79.16 15.00 106 LYS O −26.18 −29.32 78.83 15.00 107 CYS N −24.23 −30.42 78.61 15.00 107 CYS CA −24.77 −31.37 77.64 15.00 107 CYS CB −24.82 −30.77 76.22 15.00 107 CYS SG −23.38 −31.03 75.18 15.00 107 CYS C −23.93 −32.64 77.72 15.00 107 CYS O −22.76 −32.59 78.10 15.00 108 ARG N −24.54 −33.78 77.45 15.00 108 ARG CA −23.86 −35.07 77.52 15.00 108 ARG CB −24.60 −35.99 78.50 15.00 108 ARG CG −26.12 −35.73 78.59 15.00 108 ARG CD −26.86 −36.86 79.28 15.00 108 ARG NE −26.63 −38.14 78.60 15.00 108 ARG CZ −27.58 −38.89 78.03 15.00 108 ARG NH1 −28.85 −38.51 78.05 15.00 108 ARG NH2 −27.24 −40.03 77.45 15.00 108 ARG C −23.64 −35.78 76.18 15.00 108 ARG O −23.84 −36.99 76.06 15.00 109 GLY N −23.20 −35.03 75.17 15.00 109 GLY CA −22.97 −35.63 73.87 15.00 109 GLY C −23.82 −34.99 72.80 15.00 109 GLY O −24.27 −33.85 72.95 15.00 110 TYR N −24.09 −35.72 71.72 15.00 110 TYR CA −24.89 −35.19 70.63 15.00 110 TYR CB −24.12 −34.08 69.91 15.00 110 TYR CG −22.86 −34.56 69.20 15.00 110 TYR CD1 −21.64 −34.62 69.87 15.00 110 TYR CE1 −20.49 −35.03 69.22 15.00 110 TYR CD2 −22.90 −34.93 67.85 15.00 110 TYR CE2 −21.75 −35.34 67.19 15.00 110 TYR CZ −20.55 −35.39 67.88 15.00 110 TYR OH −19.39 −35.77 67.23 15.00 110 TYR C −25.22 −36.28 69.62 15.00 110 TYR O −24.44 −37.21 69.43 15.00 111 ARG N −26.34 −36.11 68.92 15.00 111 ARG CA −26.76 −37.08 67.92 15.00 111 ARG CB −28.02 −37.81 68.38 15.00 111 ARG CG −27.81 −38.84 69.48 15.00 111 ARG CD −28.75 −40.03 69.33 15.00 111 ARG NE −28.01 −41.28 69.36 15.00 111 ARG CZ −27.89 −42.06 70.44 15.00 111 ARG NH1 −27.18 −43.18 70.36 15.00 111 ARG NH2 −28.50 −41.73 71.58 15.00 111 ARG C −26.99 −36.46 66.54 15.00 111 ARG O −27.67 −35.45 66.41 15.00 112 GLU N −26.41 −37.06 65.50 15.00 112 GLU CA −26.56 −36.57 64.14 15.00 112 GLU CB −25.36 −37.00 63.29 15.00 112 GLU CG −24.03 −36.42 63.76 15.00 112 GLU CD −23.34 −35.56 62.70 15.00 112 GLU OE1 −23.95 −34.57 62.22 15.00 112 GLU OE2 −22.18 −35.88 62.33 15.00 112 GLU C −27.86 −37.13 63.56 15.00 112 GLU O −28.64 −37.75 64.27 15.00 113 ILE N −28.13 −36.87 62.29 15.00 113 ILE CA −29.35 −37.38 61.64 15.00 113 ILE CB −30.38 −36.25 61.34 15.00 113 ILE CG2 −31.67 −36.83 60.78 15.00 113 ILE CG1 −30.71 −35.45 62.60 15.00 113 ILE CD1 −31.50 −36.20 63.65 15.00 113 ILE C −28.85 −37.98 60.33 15.00 113 ILE O −27.91 −37.46 59.73 15.00 114 PRO N −29.41 −39.13 59.92 15.00 114 PRO CD −30.48 −39.91 60.57 15.00 114 PRO CA −28.98 −39.77 58.68 15.00 114 PRO CB −30.10 −40.78 58.43 15.00 114 PRO CG −30.41 −41.23 59.83 15.00 114 PRO C −28.87 −38.79 57.54 15.00 114 PRO O −29.84 −38.12 57.20 15.00 115 GLU N −27.67 −38.66 56.99 15.00 115 GLU CA −27.46 −37.74 55.89 15.00 115 GLU CB −26.07 −37.92 55.28 15.00 115 GLU CG −24.92 −37.19 56.01 15.00 115 GLU CD −23.60 −37.16 55.20 15.00 115 GLU OE1 −23.65 −37.20 53.94 15.00 115 GLU OE2 −22.51 −37.08 55.82 15.00 115 GLU C −28.53 −37.91 54.82 15.00 115 GLU O −28.70 −39.00 54.27 15.00 116 GLY N −29.27 −36.83 54.59 15.00 116 GLY CA −30.30 −36.78 53.57 15.00 116 GLY C −31.63 −37.36 53.99 15.00 116 GLY O −32.46 −37.66 53.13 15.00 117 ASN N −31.88 −37.44 55.29 15.00 117 ASN CA −33.12 −38.03 55.77 15.00 117 ASN CB −32.80 −39.09 56.82 15.00 117 ASN CG −33.80 −40.21 56.84 15.00 117 ASN OD1 −35.02 −39.99 56.90 15.00 117 ASN ND2 −33.31 −41.44 56.76 15.00 117 ASN C −34.17 −37.06 56.31 15.00 117 ASN O −34.17 −36.72 57.50 15.00 118 GLU N −35.12 −36.66 55.48 15.00 118 GLU CA −36.15 −35.72 55.91 15.00 118 GLU CB −36.86 −35.08 54.72 15.00 118 GLU CG −36.09 −33.98 54.02 15.00 118 GLU CD −36.99 −33.14 53.15 15.00 118 GLU OE1 −36.58 −32.75 52.04 15.00 118 GLU OE2 −38.13 −32.87 53.57 15.00 118 GLU C −37.18 −36.33 56.83 15.00 118 GLU O −37.76 −35.64 57.66 15.00 119 LYS N −37.46 −37.61 56.66 15.00 119 LYS CA −38.43 −38.29 57.53 15.00 119 LYS CB −38.66 −39.71 57.03 15.00 119 LYS CG −39.20 −39.77 55.60 15.00 119 LYS CD −40.54 −39.04 55.49 15.00 119 LYS CE −41.04 −38.97 54.07 15.00 119 LYS NZ −40.26 −38.00 53.26 15.00 119 LYS C −37.89 −38.30 58.95 15.00 119 LYS O −38.55 −37.86 59.89 15.00 120 ALA N −36.64 −38.74 59.07 15.00 120 ALA CA −35.94 −38.81 60.34 15.00 120 ALA CB −34.58 −39.42 60.15 15.00 120 ALA C −35.81 −37.43 60.97 15.00 120 ALA O −35.88 −37.28 62.19 15.00 121 LEU N −35.56 −36.42 60.14 15.00 121 LEU CA −35.43 −35.06 60.66 15.00 121 LEU CB −34.96 −34.10 59.56 15.00 121 LEU CG −34.93 −32.61 59.96 15.00 121 LEU CD1 −33.81 −32.34 60.93 15.00 121 LEU CD2 −34.78 −31.76 58.72 15.00 121 LEU C −36.76 −34.60 61.25 15.00 121 LEU O −36.81 −33.98 62.31 15.00 122 LYS N −37.86 −34.91 60.57 15.00 122 LYS CA −39.17 −34.53 61.06 15.00 122 LYS CB −40.26 −35.04 60.11 15.00 122 LYS CG −41.65 −34.70 60.59 15.00 122 LYS CD −42.73 −35.28 59.72 15.00 122 LYS CE −44.10 −34.79 60.19 15.00 122 LYS NZ −45.21 −35.17 59.28 15.00 122 LYS C −39.36 −35.15 62.43 15.00 122 LYS O −39.79 −34.47 63.36 15.00 123 ARG N −39.02 −36.44 62.55 15.00 123 ARG CA −39.13 −37.17 63.81 15.00 123 ARG CB −38.72 −38.64 63.64 15.00 123 ARG CG −39.86 −39.56 63.26 15.00 123 ARG CD −39.43 −41.02 63.33 15.00 123 ARG NE −38.71 −41.48 62.14 15.00 123 ARG CZ −37.42 −41.79 62.12 15.00 123 ARG NH1 −36.68 −41.70 63.21 15.00 123 ARG NH2 −36.87 −42.22 60.99 15.00 123 ARG C −38.28 −36.55 64.90 15.00 123 ARG O −38.69 −36.51 66.05 15.00 124 ALA N −37.09 −36.07 64.55 15.00 124 ALA CA −36.20 −35.45 65.52 15.00 124 ALA CB −34.85 −35.18 64.89 15.00 124 ALA C −36.81 −34.15 66.03 15.00 124 ALA O −36.96 −33.96 67.23 15.00 125 VAL N −37.17 −33.25 65.12 15.00 125 VAL CA −37.77 −31.97 65.50 15.00 125 VAL CB −38.07 −31.11 64.25 15.00 125 VAL CG1 −38.97 −29.94 64.59 15.00 125 VAL CG2 −36.78 −30.59 63.67 15.00 125 VAL C −39.04 −32.20 66.30 15.00 125 VAL O −39.36 −31.43 67.20 15.00 126 ALA N −39.74 −33.29 66.00 15.00 126 ALA CA −40.97 −33.62 66.69 15.00 126 ALA CB −41.78 −34.61 65.88 15.00 126 ALA C −40.72 −34.17 68.09 15.00 126 ALA O −41.37 −33.76 69.06 15.00 127 ARG N −39.77 −35.10 68.19 15.00 127 ARG CA −39.41 −35.74 69.44 15.00 127 ARG CB −38.71 −37.07 69.18 15.00 127 ARG CG −39.58 −38.30 69.27 15.00 127 ARG CD −40.17 −38.70 67.94 15.00 127 ARG NE −39.87 −40.09 67.60 15.00 127 ARG CZ −40.52 −40.78 66.67 15.00 127 ARG NH1 −40.18 −42.03 66.40 15.00 127 ARG NH2 −41.55 −40.25 66.03 15.00 127 ARG C −38.52 −34.91 70.35 15.00 127 ARG O −38.86 −34.71 71.52 15.00 128 VAL N −37.37 −34.50 69.82 15.00 128 VAL CA −36.36 −33.72 70.56 15.00 128 VAL CB −34.95 −33.91 69.94 15.00 128 VAL CG1 −33.88 −33.45 70.91 15.00 128 VAL CG2 −34.73 −35.35 69.57 15.00 128 VAL C −36.62 −32.22 70.66 15.00 128 VAL O −36.44 −31.61 71.71 15.00 129 GLY N −36.99 −31.60 69.55 15.00 129 GLY CA −37.23 −30.17 69.54 15.00 129 GLY C −36.29 −29.54 68.53 15.00 129 GLY O −35.87 −30.22 67.58 15.00 130 PRO N −35.94 −28.25 68.71 15.00 130 PRO CD −36.46 −27.38 69.78 15.00 130 PRO CA −35.04 −27.50 67.83 15.00 130 PRO CB −34.80 −26.22 68.62 15.00 130 PRO CG −36.12 −26.00 69.26 15.00 130 PRO C −33.74 −28.21 67.50 15.00 130 PRO O −32.90 −28.46 68.37 15.00 131 VAL N −33.59 −28.51 66.21 15.00 131 VAL CA −32.42 −29.19 65.68 15.00 131 VAL CB −32.84 −30.34 64.73 15.00 131 VAL CG1 −31.64 −31.06 64.18 15.00 131 VAL CG2 −33.74 −31.33 65.48 15.00 131 VAL C −31.57 −28.19 64.90 15.00 131 VAL O −32.08 −27.25 64.28 15.00 132 SER N −30.25 −28.38 64.96 15.00 132 SER CA −29.32 −27.53 64.26 15.00 132 SER CB −28.00 −27.48 65.02 15.00 132 SER OG −28.18 −26.93 66.31 15.00 132 SER C −29.08 −28.14 62.88 15.00 132 SER O −28.67 −29.30 62.79 15.00 133 VAL N −29.38 −27.38 61.83 15.00 133 VAL CA −29.21 −27.83 60.44 15.00 133 VAL CB −30.57 −27.93 59.68 15.00 133 VAL CG1 −31.55 −28.81 60.43 15.00 133 VAL CG2 −31.16 −26.56 59.49 15.00 133 VAL C −28.30 −26.86 59.68 15.00 133 VAL O −28.06 −25.74 60.13 15.00 134 ALA N −27.79 −27.28 58.52 15.00 134 ALA CA −26.94 −26.44 57.69 15.00 134 ALA CB −25.50 −26.93 57.73 15.00 134 ALA C −27.49 −26.50 56.28 15.00 134 ALA O −27.84 −27.57 55.79 15.00 135 ILE N −27.58 −25.36 55.61 15.00 135 ILE CA −28.14 −25.32 54.27 15.00 135 ILE CB −29.58 −24.73 54.30 15.00 135 ILE CG2 −30.49 −25.57 55.19 15.00 135 ILE CG1 −29.53 −23.26 54.76 15.00 135 ILE CD1 −30.88 −22.58 54.88 15.00 135 ILE C −27.33 −24.44 53.32 15.00 135 ILE O −26.33 −23.82 53.72 15.00 136 ASP N −27.75 −24.41 52.05 15.00 136 ASP CA −27.12 −23.57 51.05 15.00 136 ASP CB −27.25 −24.16 49.65 15.00 136 ASP CG −26.77 −23.20 48.57 15.00 136 ASP OD1 −27.27 −23.28 47.43 15.00 136 ASP OD2 −25.90 −22.35 48.85 15.00 136 ASP C −27.87 −22.24 51.10 15.00 136 ASP O −29.05 −22.17 50.77 15.00 137 ALA N −27.19 −21.21 51.59 15.00 137 ALA CA −27.80 −19.89 51.68 15.00 137 ALA CB −27.61 −19.32 53.08 15.00 137 ALA C −27.23 −18.94 50.62 15.00 137 ALA O −27.64 −17.78 50.53 15.00 138 SER N −26.26 −19.43 49.84 15.00 138 SER CA −25.66 −18.65 48.77 15.00 138 SER CB −24.30 −19.22 48.37 15.00 138 SER OG −23.28 −18.86 49.30 15.00 138 SER C −26.61 −18.73 47.60 15.00 138 SER O −26.51 −19.65 46.80 15.00 139 LEU N −27.54 −17.77 47.57 15.00 139 LEU CA −28.59 −17.66 46.55 15.00 139 LEU CB −29.53 −18.86 46.65 15.00 139 LEU CG −29.89 −19.63 45.38 15.00 139 LEU CD1 −28.66 −20.27 44.80 15.00 139 LEU CD2 −30.92 −20.68 45.71 15.00 139 LEU C −29.39 −16.39 46.85 15.00 139 LEU O −29.91 −16.22 47.96 15.00 140 THR N −29.52 −15.49 45.87 15.00 140 THR CA −30.23 −14.23 46.08 15.00 140 THR CB −30.06 −13.28 44.87 15.00 140 THR OG1 −29.05 −13.81 43.99 15.00 140 THR CG2 −29.62 −11.89 45.34 15.00 140 THR C −31.71 −14.37 46.42 15.00 140 THR O −32.23 −13.63 47.24 15.00 141 SER N −32.39 −15.35 45.83 15.00 141 SER CA −33.80 −15.59 46.10 15.00 141 SER CB −34.31 −16.76 45.27 15.00 141 SER OG −33.42 −17.86 45.34 15.00 141 SER C −34.00 −15.89 47.57 15.00 141 SER O −35.03 −15.57 48.16 15.00 142 PHE N −33.01 −16.51 48.18 15.00 142 PHE CA −33.07 −16.86 49.59 15.00 142 PHE CB −31.98 −17.88 49.93 15.00 142 PHE CG −31.93 −18.24 51.39 15.00 142 PHE CD1 −32.72 −19.25 51.89 15.00 142 PHE CD2 −31.10 −17.54 52.25 15.00 142 PHE CE1 −32.68 −19.58 53.23 15.00 142 PHE CE2 −31.05 −17.85 53.60 15.00 142 PHE CZ −31.85 −18.87 54.09 15.00 142 PHE C −32.88 −15.61 50.43 15.00 142 PHE O −33.66 −15.33 51.34 15.00 143 GLN N −31.86 −14.84 50.09 15.00 143 GLN CA −31.54 −13.64 50.83 15.00 143 GLN CB −30.25 −13.06 50.30 15.00 143 GLN CG −29.18 −14.11 50.24 15.00 143 GLN CD −27.84 −13.53 49.97 15.00 143 GLN OE1 −27.41 −12.58 50.62 15.00 143 GLN NE2 −27.15 −14.10 48.99 15.00 143 GLN C −32.63 −12.59 50.89 15.00 143 GLN O −32.90 −12.05 51.95 15.00 144 PHE N −33.29 −12.29 49.77 15.00 144 PHE CA −34.36 −11.28 49.80 15.00 144 PHE CB −34.33 −10.38 48.55 15.00 144 PHE CG −34.46 −11.12 47.24 15.00 144 PHE CD1 −33.45 −11.04 46.30 15.00 144 PHE CD2 −35.59 −11.87 46.95 15.00 144 PHE CE1 −33.56 −11.71 45.09 15.00 144 PHE CE2 −35.71 −12.55 45.75 15.00 144 PHE CZ −34.70 −12.46 44.82 15.00 144 PHE C −35.76 −11.83 50.04 15.00 144 PHE O −36.76 −11.19 49.68 15.00 145 TYR N −35.83 −13.01 50.66 15.00 145 TYR CA −37.09 −13.68 50.97 15.00 145 TYR CB −36.80 −15.04 51.62 15.00 145 TYR CG −37.95 −15.65 52.36 15.00 145 TYR CD1 −38.83 −16.52 51.73 15.00 145 TYR CE1 −39.93 −17.05 52.41 15.00 145 TYR CD2 −38.20 −15.31 53.69 15.00 145 TYR CE2 −39.28 −15.83 54.38 15.00 145 TYR CZ −40.14 −16.69 53.73 15.00 145 TYR OH −41.24 −17.16 54.42 15.00 145 TYR C −37.87 −12.81 51.93 15.00 145 TYR O −37.27 −12.10 52.74 15.00 146 SER N −39.20 −12.88 51.89 15.00 146 SER CA −40.01 −12.07 52.78 15.00 146 SER CB −40.45 −10.78 52.10 15.00 146 SER OG −41.31 −11.05 51.01 15.00 146 SER C −41.23 −12.81 53.34 15.00 146 SER O −41.69 −12.52 54.45 15.00 147 LYS N −41.77 −13.75 52.58 15.00 147 LYS CA −42.93 −14.52 53.04 15.00 147 LYS CB −44.16 −13.62 53.21 15.00 147 LYS CG −44.84 −13.14 51.92 15.00 147 LYS CD −45.64 −11.86 52.19 15.00 147 LYS CE −44.71 −10.72 52.70 15.00 147 LYS NZ −45.41 −9.52 53.28 15.00 147 LYS C −43.27 −15.68 52.11 15.00 147 LYS O −43.03 −15.62 50.91 15.00 148 GLY N −43.83 −16.74 52.69 15.00 148 GLY CA −44.21 −17.90 51.90 15.00 148 GLY C −43.31 −19.08 52.16 15.00 148 GLY O −42.50 −19.07 53.08 15.00 149 VAL N −43.46 −20.12 51.35 15.00 149 VAL CA −42.65 −21.32 51.50 15.00 149 VAL CB −43.52 −22.60 51.39 15.00 149 VAL CG1 −42.66 −23.84 51.53 15.00 149 VAL CG2 −44.59 −22.59 52.45 15.00 149 VAL C −41.57 −21.27 50.42 15.00 149 VAL O −41.84 −21.44 49.24 15.00 150 TYR N −40.34 −21.01 50.84 15.00 150 TYR CA −39.21 −20.90 49.93 15.00 150 TYR CB −37.98 −20.37 50.67 15.00 150 TYR CG −36.75 −20.27 49.80 15.00 150 TYR CD1 −36.73 −19.44 48.68 15.00 150 TYR CE1 −35.61 −19.36 47.86 15.00 150 TYR CD2 −35.61 −21.03 50.09 15.00 150 TYR CE2 −34.48 −20.96 49.27 15.00 150 TYR CZ −34.49 −20.13 48.16 15.00 150 TYR OH −33.41 −20.06 47.32 15.00 150 TYR C −38.81 −22.16 49.19 15.00 150 TYR O −38.56 −23.19 49.80 15.00 151 TYR N −38.68 −22.03 47.88 15.00 151 TYR CA −38.24 −23.13 47.02 15.00 151 TYR CB −39.38 −24.11 46.72 15.00 151 TYR CG −38.89 −25.32 45.96 15.00 151 TYR CD1 −37.74 −26.01 46.37 15.00 151 TYR CE1 −37.23 −27.06 45.63 15.00 151 TYR CD2 −39.52 −25.74 44.79 15.00 151 TYR CE2 −39.01 −26.80 44.03 15.00 151 TYR CZ −37.87 −27.45 44.46 15.00 151 TYR OH −37.35 −28.50 43.72 15.00 151 TYR C −37.63 −22.58 45.73 15.00 151 TYR O −38.19 −21.69 45.08 15.00 152 ASP N −36.47 −23.12 45.37 15.00 152 ASP CA −35.74 −22.69 44.19 15.00 152 ASP CB −34.80 −21.56 44.59 15.00 152 ASP CG −34.09 −20.92 43.42 15.00 152 ASP OD1 −33.27 −21.60 42.76 15.00 152 ASP OD2 −34.35 −19.73 43.17 15.00 152 ASP C −34.93 −23.88 43.70 15.00 152 ASP O −33.98 −24.30 44.37 15.00 153 GLU N −35.23 −24.36 42.51 15.00 153 GLU CA −34.55 −25.53 41.95 15.00 153 GLU CB −35.15 −25.91 40.59 15.00 153 GLU CG −35.40 −24.74 39.62 15.00 153 GLU CD −34.12 −24.02 39.16 15.00 153 GLU OE1 −33.16 −24.68 38.70 15.00 153 GLU OE2 −34.09 −22.76 39.27 15.00 153 GLU C −33.03 −25.50 41.88 15.00 153 GLU O −32.40 −26.49 41.49 15.00 154 SER N −32.42 −24.37 42.22 15.00 154 SER CA −30.96 −24.26 42.18 15.00 154 SER CB −30.53 −23.00 41.43 15.00 154 SER OG −30.93 −23.09 40.06 15.00 154 SER C −30.27 −24.34 43.55 15.00 154 SER O −29.04 −24.33 43.65 15.00 155 CYS N −31.06 −24.43 44.61 15.00 155 CYS CA −30.49 −24.54 45.95 15.00 155 CYS C −29.66 −25.81 45.88 15.00 155 CYS O −30.16 −26.88 45.54 15.00 155 CYS CB −31.60 −24.69 46.96 15.00 155 CYS SG −31.20 −23.89 48.53 15.00 156 ASN N −28.36 −25.70 46.16 15.00 156 ASN CA −27.50 −26.87 46.05 15.00 156 ASN CB −26.20 −26.49 45.36 15.00 156 ASN CG −25.34 −27.69 45.04 15.00 156 ASN OD1 −25.83 −28.82 44.97 15.00 156 ASN ND2 −24.05 −27.47 44.88 15.00 156 ASN C −27.21 −27.66 47.33 15.00 156 ASN O −26.37 −27.26 48.13 15.00 157 SER N −27.82 −28.83 47.43 15.00 157 SER CA −27.66 −29.72 48.57 15.00 157 SER CB −28.41 −31.03 48.33 15.00 157 SER OG −29.78 −30.78 48.03 15.00 157 SER C −26.19 −30.04 48.87 15.00 157 SER O −25.86 −30.54 49.96 15.00 158 ASP N −25.31 −29.75 47.92 15.00 158 ASP CA −23.89 −30.03 48.07 15.00 158 ASP CB −23.30 −30.43 46.71 15.00 157 ASP CG −24.01 −31.63 46.08 15.00 158 ASP OD1 −25.23 −31.53 45.79 15.00 158 ASP OD2 −23.34 −32.67 45.86 15.00 158 ASP C −23.11 −28.86 48.64 15.00 158 ASP O −22.00 −29.02 49.15 15.00 159 ASN N −23.68 −27.66 48.60 15.00 159 ASN CA −22.98 −26.49 49.11 15.00 159 ASN CB −23.02 −25.36 48.07 15.00 159 ASN CG −21.95 −24.29 48.31 15.00 159 ASN OD1 −21.61 −23.96 49.45 15.00 159 ASN ND2 −21.43 −23.72 47.22 15.00 159 ASN C −23.59 −26.01 50.41 15.00 159 ASN O −24.34 −25.03 50.44 15.00 160 LEU N −23.31 −26.69 51.52 15.00 160 LEU CA −23.86 −26.27 52.80 15.00 160 LEU CB −23.99 −27.45 53.77 15.00 160 LEU CG −24.87 −28.62 53.30 15.00 160 LEU CD1 −25.08 −29.56 54.47 15.00 160 LEU CD2 −26.21 −28.16 52.76 15.00 160 LEU C −22.91 −25.21 53.33 15.00 160 LEU O −21.77 −25.51 53.65 15.00 161 ASN N −23.38 −23.97 53.35 15.00 161 ASN CA −22.55 −22.84 53.78 15.00 161 ASN CB −22.32 −21.90 52.60 15.00 161 ASN CG −23.61 −21.59 51.84 15.00 161 ASN OD1 −24.49 −20.86 52.31 15.00 161 ASN ND2 −23.75 −22.18 50.66 15.00 161 ASN C −23.10 −22.04 54.94 15.00 161 ASN O −22.37 −21.29 55.58 15.00 162 HIS N −24.38 −22.20 55.24 15.00 162 HIS CA −25.01 −21.44 56.31 15.00 162 HIS CB −26.00 −20.43 55.72 15.00 162 HIS CG −26.46 −19.38 56.68 15.00 162 HIS CD2 −27.69 −18.91 56.97 15.00 162 HIS ND1 −25.58 −18.66 57.46 15.00 162 HIS CE1 −26.25 −17.79 58.19 15.00 162 HIS NE2 −27.54 −17.92 57.90 15.00 162 HIS C −25.74 −22.34 57.31 15.00 162 HIS O −26.66 −23.07 56.94 15.00 163 ALA N −25.31 −22.30 58.57 15.00 163 ALA CA −25.93 −23.09 59.63 15.00 163 ALA CB −24.98 −23.25 60.81 15.00 163 ALA C −27.18 −22.33 60.08 15.00 163 ALA O −27.20 −21.09 60.08 15.00 164 VAL N −28.21 −23.05 60.48 15.00 164 VAL CA −29.44 −22.43 60.91 15.00 164 VAL CB −30.31 −22.10 59.66 15.00 164 VAL CG1 −31.25 −23.23 59.31 15.00 164 VAL CG2 −30.99 −20.79 59.85 15.00 164 VAL C −30.13 −23.35 61.91 15.00 164 VAL O −29.51 −24.32 62.35 15.00 165 LEU N −31.38 −23.10 62.28 15.00 165 LEU CA −32.05 −23.93 63.28 15.00 165 LEU CB −31.95 −23.25 64.64 15.00 165 LEU CG −32.41 −23.97 65.90 15.00 165 LEU CD1 −31.39 −25.01 66.31 15.00 165 LEU CD2 −32.58 −22.96 67.00 15.00 165 LEU C −33.51 −24.20 62.98 15.00 165 LEU O −34.30 −23.27 62.86 15.00 166 ALA N −33.88 −25.48 62.93 15.00 166 ALA CA −35.27 −25.89 62.66 15.00 166 ALA CB −35.30 −27.31 62.15 15.00 166 ALA C −36.07 −25.78 63.95 15.00 166 ALA O −35.74 −26.40 64.95 15.00 167 VAL N −37.14 −24.99 63.93 15.00 167 VAL CA −38.00 −24.75 65.09 15.00 167 VAL CB −38.22 −23.21 65.30 15.00 167 VAL CG1 −39.07 −22.93 66.50 15.00 167 VAL CG2 −36.88 −22.50 65.47 15.00 167 VAL C −39.35 −25.46 64.93 15.00 167 VAL O −40.25 −25.34 65.77 15.00 168 GLY N −39.51 −26.21 63.85 15.00 168 GLY CA −40.75 −26.91 63.61 15.00 168 GLY C −40.97 −27.18 62.14 15.00 168 GLY O −40.03 −27.15 61.35 15.00 168 TYR N −42.22 −27.45 61.78 15.00 169 TYR CA −42.63 −27.75 60.41 15.00 169 TYR CB −42.23 −29.18 60.00 15.00 169 TYR CG −42.72 −30.27 60.93 15.00 169 TYR CD1 −44.07 −30.66 60.94 15.00 169 TYR CE1 −44.52 −31.66 61.81 15.00 169 TYR CD2 −41.85 −30.91 61.81 15.00 169 TYR CE2 −42.29 −31.91 62.68 15.00 169 TYR CZ −43.63 −32.27 62.68 15.00 169 TYR OH −44.07 −33.24 63.57 15.00 169 TYR C −44.14 −27.59 60.31 15.00 169 TYR O −44.81 −27.32 61.30 15.00 170 GLY N −44.70 −27.76 59.12 15.00 170 GLY CA −46.14 −27.63 58.97 15.00 170 GLY C −46.56 −27.53 57.52 15.00 170 GLY O −45.85 −27.94 56.61 15.00 171 ILE N −47.74 −26.97 57.30 15.00 171 ILE CA −48.28 −26.78 55.97 15.00 171 ILE CB −49.43 −27.78 55.69 15.00 171 ILE CG2 −50.14 −27.44 54.38 15.00 171 ILE CG1 −48.91 −29.22 55.69 15.00 171 ILE CD1 −48.38 −29.69 54.35 15.00 171 ILE C −48.89 −25.40 56.05 15.00 171 ILE O −49.85 −25.20 56.78 15.00 172 GLN N −48.29 −24.41 55.40 15.00 172 GLN CA −48.86 −23.07 55.47 15.00 172 GLN CB −47.96 −22.05 54.75 15.00 172 GLN CG −48.37 −20.59 54.97 15.00 172 GLN CD −47.48 −19.62 54.20 15.00 172 GLN OE1 −46.94 −19.96 53.14 15.00 172 GLN NE2 −47.33 −18.41 54.72 15.00 172 GLN C −50.22 −23.15 54.78 15.00 172 GLN O −51.26 −22.82 55.37 15.00 173 LYS N −50.21 −23.61 53.54 15.00 173 LYS CA −51.45 −23.77 52.79 15.00 173 LYS CB −52.00 −22.41 52.33 15.00 173 LYS CG −53.53 −22.35 52.25 15.00 173 LYS CD −54.00 −20.89 52.22 15.00 173 LYS CE −55.51 −20.75 52.34 15.00 173 LYS NZ −55.91 −19.31 52.33 15.00 173 LYS C −51.07 −24.63 51.61 15.00 173 LYS O −50.50 −24.16 50.63 15.00 174 GLY N −51.28 −25.93 51.80 15.00 174 GLY CA −50.97 −26.89 50.76 15.00 174 GLY C −49.51 −27.27 50.74 15.00 174 GLY O −49.17 −28.42 50.45 15.00 175 ASN N −48.63 −26.34 51.08 15.00 175 ASN CA −47.20 −26.64 51.05 15.00 175 ASN CB −46.44 −25.52 50.34 15.00 175 ASN CG −46.88 −25.35 48.88 15.00 175 ASN OD1 −47.59 −24.39 48.54 15.00 175 ASN ND2 −46.49 −26.29 48.03 15.00 175 ASN C −46.52 −26.98 52.38 15.00 175 ASN O −46.58 −26.21 53.35 15.00 176 LYS N −45.88 −28.15 52.40 15.00 176 LYS CA −45.15 −28.65 53.56 15.00 176 LYS CB −44.68 −30.09 53.34 15.00 176 LYS CG −45.74 −31.03 52.77 15.00 176 LYS CD −45.35 −32.49 52.97 15.00 176 LYS CE −46.23 −33.44 52.14 15.00 176 LYS NZ −45.80 −33.48 50.70 15.00 176 LYS C −43.94 −27.75 53.75 15.00 176 LYS O −43.26 −27.41 52.78 15.00 177 HIS N −43.64 −27.39 55.00 15.00 177 HIS CA −42.51 −26.50 55.25 15.00 177 HIS CB −42.96 −25.05 55.09 15.00 177 HIS CG −43.85 −24.56 56.20 15.00 177 HIS CD2 −43.59 −24.27 57.49 15.00 177 HIS ND1 −45.16 −24.20 55.99 15.00 177 HIS CE1 −45.67 −23.71 57.10 15.00 177 HIS NE2 −44.74 −23.75 58.03 15.00 177 HIS C −41.82 −26.66 56.59 15.00 177 HIS O −42.44 −27.05 57.57 15.00 178 TRP N −40.52 −26.34 56.60 15.00 178 TRP CA −39.67 −26.38 57.77 15.00 178 TRP CB −38.26 −26.80 57.38 15.00 178 TRP CG −38.11 −28.21 56.93 15.00 178 TRP CD2 −38.28 −29.38 57.73 15.00 178 TRP CE2 −38.02 −30.49 56.90 15.00 178 TRP CE3 −38.62 −29.60 59.08 15.00 178 TRP CD1 −37.77 −28.64 55.68 15.00 178 TRP NE1 −37.71 −30.01 55.65 15.00 178 TRP CZ2 −38.09 −31.80 57.37 15.00 178 TRP CZ3 −38.69 −30.89 59.54 15.00 178 TRP CH2 −38.43 −31.98 58.68 15.00 178 TRP C −39.59 −24.94 58.28 15.00 178 TRP O −39.26 −24.03 57.51 15.00 178 ILE N −39.92 −24.71 59.55 15.00 179 ILE CA −39.85 −23.36 60.09 15.00 179 ILE CB −40.86 −23.17 61.23 15.00 179 ILE CG2 −40.80 −21.75 61.74 15.00 179 ILE CG1 −42.27 −23.50 60.72 15.00 179 ILE CD1 −43.38 −23.28 61.70 15.00 179 ILE C −38.42 −23.13 60.55 15.00 179 ILE O −37.94 −23.79 61.47 15.00 180 ILE N −37.73 −22.22 59.88 15.00 180 ILE CA −36.32 −21.94 60.17 15.00 180 ILE CB −35.50 −22.02 58.86 15.00 180 ILE CG2 −34.06 −21.71 59.13 15.00 180 ILE CG1 −35.63 −23.40 58.22 15.00 180 ILE CD1 −34.94 −24.48 58.99 15.00 180 ILE C −36.01 −20.62 60.88 15.00 180 ILE O −36.59 −19.58 60.56 15.00 181 LYS N −35.09 −20.68 61.84 15.00 181 LYS CA −34.67 −19.51 62.60 15.00 181 LYS CB −34.58 −19.83 64.09 15.00 181 LYS CG −34.19 −18.62 64.93 15.00 181 LYS CD −33.86 −18.95 66.37 15.00 181 LYS CE −33.68 −17.66 67.16 15.00 181 LYS NZ −33.07 −17.85 68.50 15.00 181 LYS C −33.30 −19.10 62.12 15.00 181 LYS O −33.31 −19.74 62.48 15.00 182 ASN N −33.22 −18.04 61.32 15.00 182 ASN CA −31.93 −17.56 60.79 15.00 182 ASN CB −32.17 −16.80 59.48 15.00 182 ASN CG −30.98 −16.86 58.53 15.00 182 ASN OD1 −29.87 −17.20 58.92 15.00 182 ASN ND2 −31.21 −16.50 57.27 15.00 182 ASN C −31.29 −16.65 61.84 15.00 182 ASN O −31.86 −16.44 62.91 15.00 183 SER N −30.11 −16.11 61.56 15.00 183 SER CA −29.44 −15.21 62.52 15.00 183 SER CB −28.26 −15.93 63.18 15.00 183 SER OG −27.41 −16.54 62.21 15.00 183 SER C −28.98 −13.90 61.87 15.00 183 SER O −27.84 −13.44 62.08 15.00 184 TRP N −29.85 −13.26 61.11 15.00 184 TRP CA −29.52 −12.01 60.45 15.00 184 TRP CB −29.70 −12.14 58.84 15.00 184 TRP CG −28.74 −13.05 58.26 15.00 184 TRP CD2 −28.89 −13.61 56.96 15.00 184 TRP CE2 −27.72 −14.38 56.71 15.00 184 TRP CE3 −29.87 −13.53 55.98 15.00 184 TRP CD1 −27.54 −13.48 58.74 15.00 184 TRP NE1 −26.92 −14.29 57.81 15.00 184 TRP CZ2 −27.53 −15.07 55.51 15.00 184 TRP CZ3 −29.68 −14.22 54.78 15.00 184 TRP CH2 −28.52 −14.98 54.56 15.00 184 TRP C −30.45 −10.91 60.98 15.00 184 TRP O −31.16 −10.28 60.20 15.00 185 GLY N −30.48 −10.71 62.29 15.00 185 GLY CA −31.34 −9.69 62.86 15.00 185 GLY C −32.79 −10.02 62.61 15.00 185 GLY O −33.09 −11.01 61.96 15.00 186 GLU N −33.73 −9.25 63.14 15.00 186 GLU CA −35.13 −9.57 62.89 15.00 186 GLU CB −36.01 −9.41 64.14 15.00 186 GLU CG −36.02 −8.04 64.75 15.00 186 GLU CD −37.04 −7.92 65.87 15.00 186 GLU OE1 −36.66 −7.55 67.00 15.00 186 GLU OE2 −38.23 −8.21 65.61 15.00 186 GLU C −35.67 −8.78 61.72 15.00 186 GLU O −36.84 −8.91 61.34 15.00 187 ASN N −34.80 −7.96 61.13 15.00 187 ASN CA −35.17 −7.15 59.99 15.00 187 ASN CB −34.20 −5.97 59.84 15.00 187 ASN CG −34.83 −4.76 59.13 15.00 187 ASN OD1 −34.15 −4.03 58.42 15.00 187 ASN ND2 −36.12 −4.54 59.36 15.00 187 ASN C −35.15 −8.03 58.74 15.00 187 ASN O −35.75 −7.72 57.72 15.00 187 TRP N −34.45 −9.16 58.81 15.00 188 TRP CA −34.37 −10.07 57.66 15.00 188 TRP CB −33.13 −10.97 57.77 15.00 188 TRP CG −33.03 −11.92 56.63 15.00 188 TRP CD2 −33.46 −13.29 56.62 15.00 188 TRP CE2 −33.26 −13.77 55.31 15.00 188 TRP CE3 −34.00 −14.15 57.58 15.00 188 TRP CD1 −32.60 −11.64 55.38 15.00 188 TRP NE1 −32.73 −12.74 54.58 15.00 188 TRP CZ2 −33.58 −15.08 54.93 15.00 188 TRP CZ3 −34.31 −15.45 57.20 15.00 188 TRP CH2 −34.10 −15.90 55.89 15.00 188 TRP C −35.63 −10.94 57.55 15.00 188 TRP O −36.34 −11.13 58.54 15.00 189 GLY N −35.89 −11.44 56.34 15.00 189 GLY CA −37.04 −12.29 56.09 15.00 189 GLY C −38.26 −11.99 56.92 15.00 189 GLY O −38.56 −10.84 57.23 15.00 190 ASN N −38.99 −13.02 57.32 15.00 190 ASN CA −40.18 −12.81 58.14 15.00 190 ASN CB −41.17 −13.96 57.97 15.00 190 ASN CG −42.58 −13.57 58.36 15.00 190 ADN OD1 −43.53 −13.95 57.69 15.00 190 ASN ND2 −42.72 −12.80 59.43 15.00 190 ASN C −39.79 −12.68 59.61 15.00 190 ASN O −39.86 −13.65 60.36 15.00 191 LYS N −39.41 −11.47 60.02 15.00 191 LYS CA −39.01 −11.18 61.41 15.00 191 LYS CB −40.23 −11.26 62.34 15.00 191 LYS CG −41.41 −10.38 61.96 15.00 191 LYS CD −42.64 −10.75 62.79 15.00 191 LYS CE −43.93 −10.18 62.20 15.00 191 LYS NZ −45.15 −10.69 62.91 15.00 191 LYS C −37.94 −12.14 61.90 15.00 191 LYS O −38.00 −12.62 63.03 15.00 192 GLY N −36.97 −12.45 61.05 15.00 192 GLY CA −35.91 −13.35 61.43 15.00 192 GLY C −36.06 −14.79 60.97 15.00 192 GLY O −35.07 −15.51 60.83 15.00 193 TYR N −37.30 −15.21 60.70 15.00 193 TYR CA −37.56 −16.59 60.27 15.00 193 TYR CB −38.79 −17.14 61.01 15.00 193 TYR CG −38.57 −17.28 62.49 15.00 193 TYR CD1 −38.77 −16.20 63.35 15.00 193 TYR CE1 −38.49 −16.30 64.70 15.00 193 TYR CD2 −38.09 −18.47 63.04 15.00 193 TYR CE2 −37.81 −18.58 64.40 15.00 193 TYR CZ −38.00 −17.48 65.22 15.00 193 TYR OH −37.69 −17.57 66.55 15.00 193 TYR C −37.77 −16.76 58.76 15.00 193 TYR O −37.85 −15.80 57.99 15.00 194 ILE N −37.83 −18.01 58.33 15.00 194 ILE CA −38.06 −18.34 56.94 15.00 194 ILE CB −36.77 −18.17 56.07 15.00 194 ILE CG2 −35.64 −19.02 56.60 15.00 194 ILE CG1 −37.07 −18.54 54.62 15.00 194 ILE CD1 −35.87 −18.54 53.71 15.00 194 ILE C −38.59 −19.77 56.84 15.00 194 ILE O −38.12 −20.68 57.53 15.00 195 LEU N −39.65 −19.93 56.06 15.00 195 LEU CA −40.27 −21.23 55.84 15.00 195 LEU CB −41.76 −21.08 55.61 15.00 195 LEU CG −42.62 −21.03 56.88 15.00 195 LEU CD1 −41.90 −20.32 58.01 15.00 195 LEU CD2 −43.94 −20.37 56.58 15.00 195 LEU C −39.61 −21.79 54.60 15.00 195 LEU O −39.53 −21.13 53.57 15.00 196 MET N −39.08 −23.00 54.71 15.00 196 MET CA −38.42 −23.63 53.58 15.00 196 MET CB −36.96 −23.90 53.93 15.00 196 MET CG −36.13 −22.63 54.11 15.00 196 MET SD −34.43 −22.96 54.57 15.00 196 MET CE −33.85 −23.77 53.09 15.00 196 MET C −39.17 −24.90 53.20 15.00 196 MET O −39.74 −25.58 54.05 15.00 197 ALA N −39.23 −25.22 51.91 15.00 197 ALA CA −39.93 −26.41 51.45 15.00 197 ALA CB −39.79 −26.55 49.94 15.00 197 ALA C −39.51 −27.70 52.15 15.00 197 ALA O −38.32 −27.92 52.41 15.00 198 ARG N −40.50 −28.53 52.47 15.00 198 ARG CA −40.29 −29.81 53.12 15.00 198 ARG CB −40.95 −29.84 54.50 15.00 198 ARG CG −40.91 −31.22 55.15 15.00 198 ARG CD −41.22 −31.19 56.63 15.00 198 ARG NE −42.59 −30.84 56.98 15.00 198 ARG CZ −43.60 −31.70 56.98 15.00 198 ARG NH1 −43.40 −32.96 56.63 15.00 198 ARG NH2 −44.79 −31.32 57.43 15.00 198 ARG C −40.86 −30.94 52.27 15.00 198 ARG O −42.03 −30.91 51.88 15.00 199 ASN N −40.00 −31.90 51.96 15.00 199 ASN CA −40.33 −33.08 51.17 15.00 199 ASN CB −41.68 −33.69 51.58 15.00 199 ASN CG −41.66 −34.26 53.00 15.00 199 ASN OD1 −42.63 −34.12 53.74 15.00 199 ASN ND2 −40.55 −34.91 53.38 15.00 199 ASN C −40.22 −32.89 49.66 15.00 199 ASN O −40.46 −33.83 48.89 15.00 200 LYS N −39.80 −31.71 49.23 15.00 200 LYS CA −39.60 −31.45 47.81 15.00 200 LYS CB −39.83 −29.98 47.45 15.00 200 LYS CG −41.27 −29.52 47.67 15.00 200 LYS CD −41.61 −28.27 46.88 15.00 200 LYS CE −43.08 −27.86 47.07 15.00 200 LYS NZ −43.51 −26.73 46.16 15.00 200 LYS C −38.15 −31.86 47.56 15.00 200 LYS O −37.29 −31.02 47.31 15.00 201 ASN N −37.90 −33.15 47.74 15.00 201 ASN CA −36.58 −33.74 47.55 15.00 201 ASN CB −36.23 −33.86 46.06 15.00 201 ASN CG −37.27 −34.62 45.25 15.00 201 ASN OD1 −37.46 −34.34 44.06 15.00 201 ASN ND2 −37.96 −35.58 45.88 15.00 201 ASN C −35.48 −32.95 48.24 15.00 201 ASN O −34.88 −32.07 47.64 15.00 202 ASN N −35.27 −33.23 49.53 15.00 202 ASN CA −34.21 −32.62 50.34 15.00 202 ASN CB −33.01 −33.56 50.33 15.00 202 ASN CG −31.96 −33.20 51.34 15.00 202 ASN OD1 −32.27 −32.76 52.45 15.00 202 ASN ND2 −30.71 −33.41 50.98 15.00 202 ASN C −33.81 −31.18 49.94 15.00 202 ASN O −32.63 −30.88 49.70 15.00 203 ALA N −34.78 −30.29 49.91 15.00 203 ALA H −35.58 −30.58 50.39 15.00 203 ALA CA −34.60 −28.89 49.49 15.00 203 ALA CB −35.83 −28.06 49.83 15.00 203 ALA C −33.41 −28.27 50.25 15.00 203 ALA O −33.31 −28.25 51.47 15.00 204 CYS N −32.47 −27.71 49.46 15.00 204 CYS CA −31.31 −27.02 50.02 15.00 204 CYC C −30.43 −27.87 50.92 15.00 204 CYS O −29.53 −27.34 51.59 15.00 204 CYS CB −31.78 −25.79 50.79 15.00 204 CYS SG −32.67 −24.58 49.75 15.00 205 GLY N −30.64 −29.19 50.92 15.00 205 GLY CA −29.86 −30.06 51.76 15.00 205 GLY C −30.07 −29.75 53.23 15.00 205 GLY O −29.14 −29.81 54.04 15.00 206 ILE N −31.29 −29.37 53.59 15.00 206 ILE CA −31.60 −29.06 54.98 15.00 206 ILE CB −33.08 −28.64 55.16 15.00 206 ILE CG2 −34.01 −29.71 54.60 15.00 206 ILE CG1 −33.38 −28.40 56.63 15.00 206 ILE CD1 −34.65 −27.65 56.89 15.00 206 ILE C −31.30 −30.24 55.91 15.00 206 ILE O −30.92 −30.05 57.07 15.00 207 ALA N −31.42 −31.46 55.39 15.00 207 ALA CA −31.16 −32.64 56.19 15.00 207 ALA CB −32.30 −33.64 56.03 15.00 207 ALA C −29.82 −33.31 55.92 15.00 207 ALA O −29.71 −34.52 55.99 15.00 208 ASN N −28.75 −32.54 55.69 15.00 208 ASN CA −27.44 −33.14 55.41 15.00 208 ASN CB −26.91 −32.66 54.07 15.00 208 ASN CG −27.50 −33.42 52.92 15.00 208 ASN OD1 −28.69 −33.32 52.66 15.00 208 ASN ND2 −26.68 −34.22 52.24 15.00 208 ASN C −26.38 −32.91 56.46 15.00 208 ASN O −25.30 −33.49 56.40 15.00 209 LEU N −26.65 −32.01 57.40 15.00 209 LEU CA −25.71 −31.72 58.47 15.00 209 LEU CB −24.78 −30.58 58.07 15.00 209 LEU CG −23.44 −30.57 58.80 15.00 209 LEU CD1 −22.65 −31.81 58.41 15.00 209 LEU CD2 −22.65 −29.33 58.46 15.00 209 LEU C −26.52 −31.34 59.69 15.00 209 LEU O −26.24 −30.34 60.34 15.00 210 ALA N −27.55 −32.13 59.94 15.00 210 ALA H −27.87 −32.61 59.15 15.00 210 ALA CA −28.41 −31.91 61.10 15.00 210 ALA CB −29.82 −32.45 60.85 15.00 210 ALA C −27.84 −32.66 62.31 15.00 210 ALA O −27.12 −33.64 62.12 15.00 211 SER N −28.10 −32.14 63.49 15.00 211 SER CA −27.62 −32.76 64.72 15.00 211 SER CB −26.11 −32.53 64.90 15.00 211 SER OG −25.80 −31.16 65.02 15.00 211 SER C −28.35 −32.12 65.88 15.00 211 SER O −28.97 −31.08 65.73 15.00 212 PHE N −28.31 −32.77 67.03 15.00 212 PHE CA −28.95 −32.21 68.21 15.00 212 PHE CB −30.43 −32.63 68.32 15.00 212 PHE CG −30.66 −34.13 68.43 15.00 212 PHE CD1 −31.05 −34.86 67.32 15.00 212 PHE CD2 −30.55 −34.79 69.67 15.00 212 PHE CE1 −31.34 −36.23 67.44 15.00 212 PHE CE2 −30.83 −36.15 69.79 15.00 212 PHE CZ −31.23 −36.86 68.67 15.00 212 PHE C −28.14 −32.62 69.42 15.00 212 PHE O −27.50 −33.67 69.42 15.00 213 PRO N −28.02 −31.73 70.40 15.00 213 PRO CD −28.49 −30.34 70.46 15.00 213 PRO CA −27.25 −32.08 71.59 15.00 213 PRO CB −26.99 −30.73 72.23 15.00 213 PRO CG −28.24 −29.98 71.91 15.00 213 PRO C −28.08 −32.96 72.51 15.00 213 PRO O −29.31 −32.92 72.48 15.00 214 LYS N −27.43 −33.79 73.30 15.00 214 LYS CA −28.14 −34.63 74.23 15.00 214 LYS CB −27.49 −36.02 74.28 15.00 214 LYS CG −28.32 −37.14 73.61 15.00 214 LYS CD −27.43 −38.10 72.81 15.00 214 LYS CE −26.30 −38.66 73.65 15.00 214 LYS NZ −25.35 −39.45 72.81 15.00 214 LYS C −28.02 −33.93 75.57 15.00 214 LYS O −26.95 −33.45 75.91 15.00 215 MET N −29.11 −33.79 76.30 15.00 215 MET CA −29.01 −33.15 77.60 15.00 215 MET CB −29.60 −31.73 77.56 15.00 215 MET CG −28.77 −30.73 78.36 15.00 215 MET SD −29.41 −29.06 78.37 15.00 215 MET CE −30.41 −29.07 79.82 15.00 215 MET C −29.66 −33.98 78.71 15.00 215 MET OT1 −30.59 −34.77 78.41 15.00 215 MET OT2 −29.20 −33.85 79.87 15.00 216 HOH OH2 −28.05 −18.06 84.86 15.00 217 HOH OH2 −23.19 −33.36 81.36 15.00 218 HOH OH2 −31.64 −15.80 65.41 15.00 219 HOH OH2 −30.17 −19.91 64.18 15.00 220 HOH OH2 −13.36 −11.60 62.86 15.00 221 HOH OH2 −9.95 −9.46 71.42 15.00 222 HOH OH2 −34.59 −22.68 70.30 15.00 223 HOH OH2 −17.52 −33.99 64.33 15.00 224 HOH OH2 −15.72 −11.02 61.35 15.00 225 HOH OH2 −24.41 −30.51 62.51 15.00 226 HOH OH2 −10.27 −5.38 68.19 15.00 227 HOH OH2 −11.06 −16.84 67.70 15.00 228 HOH OH2 −44.88 −30.73 49.92 15.00 229 HOH OH2 −44.59 −36.65 56.24 15.00 230 HOH OH2 −37.78 −15.40 68.33 15.00 231 HOH OH2 −18.90 −36.86 61.93 15.00 232 HOH OH2 −18.90 −36.86 51.51 15.00 233 HOH OH2 −41.75 −34.32 46.57 15.00 234 HOH OH2 −28.01 −19.38 62.11 15.00 235 HOH OH2 −21.94 −29.60 62.55 15.00 236 HOH OH2 −26.15 −8.89 74.53 15.00 237 HOH OH2 −29.39 −20.71 79.14 15.00 238 HOH OH2 −30.20 −22.42 84.30 15.00 239 HOH OH2 −40.59 −13.37 49.72 15.00 240 HOH OH2 −36.04 −24.57 49.50 15.00 241 HOH OH2 −46.35 −34.82 56.72 15.00 242 HOH OH2 −24.71 −3.06 61.99 15.00 243 HOH OH2 −44.08 −16.56 65.62 15.00 244 HOH OH2 −25.57 −5.90 65.10 15.00 245 HOH OH2 −33.44 −27.60 71.31 15.00 246 HOH OH2 −47.48 −27.33 77.05 15.00 247 HOH OH2 −14.60 −14.01 81.32 15.00 248 HOH OH2 −7.93 −18.05 73.48 15.00 249 HOH OH2 −7.49 −16.70 75.98 15.00 250 HOH OH2 −26.27 −35.42 59.26 15.00 251 HOH OH2 −35.15 −10.72 53.73 15.00 252 HOH OH2 −33.62 −27.20 46.10 15.00 253 HOH OH2 −40.60 −16.73 45.07 15.00 254 HOH OH2 −41.25 −34.55 55.94 15.00 255 HOH OH2 −40.71 −18.20 72.64 15.00 256 HOH OH2 −32.67 −13.41 60.76 15.00 257 HOH OH2 −39.61 −9.04 58.76 15.00 258 HOH OH2 −31.33 −8.54 65.90 15.00 259 HOH OH2 −31.41 −5.90 63.60 15.00 260 HOH OH2 −19.54 −8.02 63.36 15.00 261 HOH OH2 −33.59 −19.88 70.38 15.00 262 HOH OH2 −32.78 −42.12 66.81 15.00 263 HOH OH2 −13.22 −22.75 77.99 15.00 264 HOH OH2 −8.15 −22.46 73.27 15.00 265 HOH OH2 −9.06 −29.93 75.92 15.00 266 HOH OH2 −20.77 −33.56 62.36 15.00 267 HOH OH2 −24.27 −45.12 64.98 15.00 268 HOH OH2 −11.63 −32.82 70.13 15.00 269 HOH OH2 −11.87 −26.78 72.10 15.00 270 HOH OH2 −19.16 −34.47 79.41 15.00 271 HOH OH2 −22.14 −37.69 70.75 15.00 272 HOH OH2 −34.50 −24.81 88.02 15.00 273 HOH OH2 −6.96 −12.16 66.61 15.00 274 HOH OH2 −7.05 −22.45 69.94 15.00 275 HOH OH2 −16.95 −20.23 55.91 15.00 276 HOH OH2 −29.20 −20.58 48.90 15.00 277 HOH OH2 −25.90 −22.48 45.16 15.00 278 HOH OH2 −35.36 −37.73 52.91 15.00 279 HOH OH2 −20.12 −27.71 43.74 15.00 280 HOH OH2 −38.87 −31.38 41.99 15.00 281 HOH OH2 −38.13 −30.43 51.07 15.00

TABLE IV Table of the orthogonal three dimensional coordinates in Ångstroms and B factors (Å²) for the cathepsin K complex with inhibitor 2,2′-N,N′-bis- benzyloxycarbonyl-L-leucinylcarbohydrazide. Residue Atom X Y Z B 1 ALA CB −44.52 −37.54 64.26 15.00 1 ALA C −46.72 −36.34 64.48 15.00 1 ALA O −47.32 −36.96 63.59 15.00 1 ALA N −46.03 −38.05 66.17 15.00 1 ALA CA −45.55 −36.98 65.24 15.00 2 PRO N −47.09 −35.10 64.86 15.00 2 PRO CD −46.48 −34.27 65.92 15.00 2 PRO CA −48.19 −34.39 64.20 15.00 2 PRO CB −48.32 −33.13 65.04 15.00 2 PRO CG −46.89 −32.89 65.50 15.00 2 PRO C −47.85 −34.05 62.76 15.00 2 PRO O −46.73 −34.29 62.29 15.00 3 ASP N −48.84 −33.52 62.05 15.00 3 ASP CA −48.64 −33.12 60.66 15.00 3 ASP CB −49.97 −33.13 59.91 15.00 3 ASP CG −50.31 −34.49 59.37 15.00 3 ASP OD1 −50.61 −34.58 58.16 15.00 3 ASP OD2 −50.25 −35.48 60.14 15.00 3 ASP C −48.06 −31.73 60.63 15.00 3 ASP O −47.45 −31.32 59.63 15.00 4 SER N −48.18 −31.03 61.75 15.00 4 SER CA −47.72 −29.67 61.87 15.00 4 SER CB −48.86 −28.74 61.51 15.00 4 SER OG −48.48 −27.37 61.57 15.00 4 SER C −47.29 −29.41 63.29 15.00 4 SER O −47.89 −29.91 64.23 15.00 5 VAL N −46.20 −28.66 63.43 15.00 5 VAL CA −45.71 −28.29 64.73 15.00 5 VAL CB −44.98 −29.44 65.47 15.00 5 VAL CG1 −43.59 −29.68 64.89 15.00 5 VAL CG2 −44.88 −29.11 66.96 15.00 5 VAL C −44.81 −27.08 64.62 15.00 5 VAL O −44.04 −26.93 63.66 15.00 6 ASP N −44.96 −26.20 65.59 15.00 6 ASP CA −44.19 −24.98 65.66 15.00 6 ASP CB −45.08 −23.81 65.22 15.00 6 ASP CG −44.31 −22.52 65.06 15.00 6 ASP OD1 −43.13 −22.45 65.49 15.00 6 ASP OD2 −44.88 −21.58 64.49 15.00 6 ASP C −43.72 −24.81 67.10 15.00 6 ASP O −44.50 −24.48 68.00 15.00 7 TYR N −42.42 −25.02 67.31 15.00 7 TYR CA −41.83 −24.90 68.64 15.00 7 TYR CB −40.43 −25.53 68.66 15.00 7 TYR CG −40.49 −27.05 68.76 15.00 7 TYR CD1 −40.75 −27.66 69.98 15.00 7 TYR CE1 −40.88 −29.04 70.08 15.00 7 TYR CD2 −40.34 −27.85 67.63 15.00 7 TYR CE2 −40.47 −29.24 67.72 15.00 7 TYR CZ −40.74 −29.83 68.95 15.00 7 TYR OH −40.89 −31.20 69.06 15.00 7 TYR C −41.80 −23.47 69.20 15.00 7 TYR O −41.66 −23.28 70.42 15.00 8 ARG N −41.93 −22.48 68.33 15.00 8 ARG CA −41.95 −21.08 68.77 15.00 8 ARG CB −42.06 −20.12 67.58 15.00 8 ARG CG −40.92 −20.21 66.57 15.00 8 ARG CD −41.19 −19.30 65.38 15.00 8 ARG NE −42.23 −19.84 64.51 15.00 8 ARG CZ −42.66 −19.26 63.38 15.00 8 ARG NH1 −42.13 −18.11 62.97 15.00 8 ARG NH2 −43.61 −19.84 62.66 15.00 8 ARG C −43.20 −20.93 69.64 15.00 8 ARG O −43.18 −20.25 70.68 15.00 9 LYS N −44.28 −21.58 69.21 15.00 9 LYS CA −45.54 −21.53 69.92 15.00 9 LYS CB −46.66 −22.14 69.08 15.00 9 LYS CG −47.11 −21.26 67.92 15.00 9 LYS CD −47.98 −22.07 66.95 15.00 9 LYS CE −48.74 −21.20 65.98 15.00 9 LYS NZ −49.84 −20.49 66.67 15.00 9 LYS C −45.45 −22.22 71.27 15.00 9 LYS O −46.19 −21.88 72.19 15.OQ 10 LYS N −44.53 −23.16 71.39 15.00 10 LYS CA −44.30 −23.91 72.63 15.00 10 LYS CB −43.82 −25.33 72.30 15.00 10 LYS CG −44.90 −26.25 71.75 15.00 10 LYS CD −44.35 −27.64 71.47 15.00 10 LYS CE −45.48 −28.63 71.20 15.00 10 LYS NZ −44.99 −30.01 70.87 15.00 10 LYS C −43.28 −23.22 73.53 15.00 10 LYS C −42.94 −23.73 74.60 15.00 11 GLY N −42.75 −22.09 73.09 15.00 11 GLY CA −41.77 −21.37 73.88 15.00 11 GLY C −40.41 −22.04 73.97 15.00 11 GLY O −39.71 −21.91 74.97 15.00 12 TYR N −40.02 −22.75 72.92 15.00 12 TYR CA −38.73 −23.41 72.89 15.00 12 TYR CB −38.86 −24.81 72.29 15.00 12 TYR CG −39.47 −25.86 73.18 15.00 12 TYR CD1 −40.56 −25.59 73.99 15.00 12 TYR CE1 −41.12 −26.56 74.81 15.00 12 TYR CD2 −38.94 −27.15 73.21 15.00 12 TYR CE2 −39.49 −28.14 74.02 15.00 12 TYR CZ −40.58 −27.84 74.82 15.00 12 TYR OH −41.10 −28.81 75.64 15.00 12 TYR C −37.73 −22.62 72.04 15.00 12 TYR C −36.65 −23.14 71.72 15.00 13 VAL N −38.08 −21.39 71.66 15.00 13 VAL CA −37.21 −20.59 70.80 15.00 13 VAL CB −37.82 −20.46 69.40 15.00 13 VAL CG1 −36.75 −20.07 68.38 15.00 13 VAL CG2 −38.52 −21.73 69.02 15.00 13 VAL C −36.93 −19.17 71.30 15.00 13 VAL O −37.86 −18.42 71.61 15.00 14 THR N −35.66 −18.79 71.34 15.00 14 THR CA −35.29 −17.45 71.78 15.00 14 THR CB −33.84 −17.40 72.32 15.00 14 THR OG1 −32.91 −17.76 71.28 15.00 14 THR CG2 −33.67 −18.33 73.52 15.00 14 THR C −35.46 −16.52 70.59 15.00 14 THR O −35.55 −16.96 69.46 15.00 15 PRO N −35.49 −15.20 70.84 15.00 15 PRO CD −35.39 −14.48 72.12 15.00 15 PRC CA −35.65 −14.27 69.72 15.00 15 PRO CB −35.71 −12.90 70.42 15.00 15 PRO CG −34.93 −13.12 71.67 15.00 15 PRO C −34.54 −14.35 68.69 15.00 15 PRO O −33.45 −14.89 68.95 15.00 16 VAL N −34.85 −13.85 67.50 15.00 16 VAL CA −33.94 −13.84 66.37 15.00 16 VAL CB −34.68 −13.41 65.08 15.00 16 VAL CG1 −33.72 −13.35 63.90 15.00 16 VAL CG2 −35.82 −14.39 64.78 15.00 16 VAL C −32.71 −12.94 66.61 15.00 16 VAL O −32.84 −11.79 67.04 15.00 17 LYS N −31.54 −13.50 66.33 15.00 17 LYS CA −30.27 −12.80 66.48 15.00 17 LYS CB −29.26 −13.70 67.22 15.00 17 LYS CG −29.85 −14.45 68.41 15.00 17 LYS CD −30.15 −13.52 69.56 15.00 17 LYS CE −31.10 −14.14 70.58 15.00 17 LYS NZ −30.73 −15.52 70.94 15.00 17 LYS C −29.7O −12.43 65.09 15.00 17 LYS O −30.25 −12.81 64.05 15.00 18 ASN N −28.59 −11.71 65.10 15.00 18 ASN CA −27.93 −11.24 63.89 15.00 18 ASN CB −28.25 −9.75 63.69 15.00 18 ASN CG −27.74 −9.21 62.37 15.00 18 ASN OD1 −27.34 −9.95 61.49 15.00 18 ASN ND2 −27.75 −7.90 62.24 15.00 18 ASN C −26.41 −11.47 63.99 15.00 18 ASN O −25.70 −10.74 64.68 15.00 19 GLN N −25.92 −12.47 63.27 15.00 19 GLN CA −24.50 −12.81 63.27 15.00 19 GLN CB −24.23 −14.05 62.39 15.00 19 GLN CG −24.59 −13.91 60.91 15.00 19 GLN CD −24.31 −15.17 60.10 15.00 19 GLN OE1 −25.15 −16.06 60.00 15.00 19 GLN NE2 −23.13 −15.23 59.59 15.00 19 GLN C −23.59 −11.65 62.84 15.00 19 GLN O −22.45 −11.56 63.30 15.00 20 GLY N −24.09 −10.77 61.99 1S.00 20 GLY CA −23.28 −9.65 61.53 15.00 20 GLY C −22.31 −10.07 60.45 15.00 20 GLY O −22.59 −10.98 59.67 15.00 21 GLN N −21.15 −9.43 60.41 15.00 21 GLN CA −20.14 −9.75 59.41 15.00 21 GLN CB −19.40 −8.48 58.96 15.00 21 GLN CG −20.22 −7.59 58.06 15.00 21 GLN CD −20.48 −8.23 56.69 15.00 21 GLN OE1 −19.88 −9.26 56.33 15.00 21 GLN NE2 −21.37 −7.60 55.90 15.00 21 GLN C −19.15 −10.78 59.98 15.00 21 GLN O −17.95 −10.51 60.13 15.00 22 CYS N −19.68 −11.95 60.30 15.00 22 CYS CA −18.90 −13.04 60.86 15.00 22 CYS C −19.59 −14.32 60.46 15.00 22 CYS O −20.82 −14.40 60.50 15.00 22 CYS CB −18.83 −12.90 62.40 15.00 22 CYS SG −18.13 −14.32 63.33 15.00 23 GLY N −18.81 −15.30 60.03 15.00 23 GLY CA −19.36 −16.58 59.63 15.00 23 GLY C −19.61 −17.48 60.83 15.00 23 GLY O −19.23 −18.65 60.84 15.00 24 SER N −20.32 −16.94 61.82 15.00 24 SER CA −20.63 −17.67 63.03 15.00 24 SER CB −20.58 −16.71 64.22 15.00 24 SER OG −21.38 −15.58 64.00 15.00 24 SER C −22.00 −18.34 62.98 15.00 24 SER O −22.52 −18.78 64.01 15.00 25 CYS N −22.59 −18.45 61.79 15.00 25 CYS CA −23.90 −19.08 61.65 15.00 25 CYS CB −24.31 −19.15 60.17 15.00 25 CYS SG −23.12 −20.00 59.06 15.00 25 CYS C −23.95 −20.47 62.29 15.00 25 CYS O −24.95 −20.85 62.89 15.00 25 INH CT −28.28 −9.31 55.94 15.00 25 INH C2 −28.07 −9.03 57.30 15.00 25 INH C3 −27.11 −9.78 58.03 15.00 25 INH C4 −26.37 −10.78 57.40 15.00 25 INH C5 −26.59 −11.05 56.05 15.00 25 INH C6 −27.54 −10.32 55.31 15.00 25 INH C7 −25.31 −11.54 58.16 15.00 25 INH O8 −24.19 −11.68 57.24 15.00 25 INH C9 −23.29 −12.79 57.20 15.00 25 INH O10 −22.50 −12.99 58.13 15.00 25 INH C11 −22.45 −14.71 55.88 15.00 25 INH C12 −21.05 −14.47 56.48 15.00 25 INH C13 −20.11 −13.38 55.92 15.00 25 INH C14 −19.15 −12.91 57.01 15.00 25 INH C15 −20.83 −12.17 55.23 15.00 25 INH C16 −23.00 −16.06 56.34 15.00 25 INH O17 −24.16 −16.15 56.75 15.00 25 INH N18 −22.19 −17.17 56.30 15.00 25 INH N19 −22.62 −18.53 56.74 15.00 25 INH N20 −23.34 −13.55 56.10 15.00 25 INH C21 −22.09 −18.85 58.14 15.00 25 INH O22 −22.10 −17.80 58.75 15.00 25 INH C23 −12.78 −27.30 59.77 15.00 25 INH C24 −13.75 −26.80 60.62 15.00 25 INH C25 −14.61 −25.79 60.17 15.00 25 INH C26 −14.52 −25.29 58.88 15.00 25 INH C27 −13.54 −25.80 58.03 15.00 25 INH C28 −12.67 −26.81 58.47 15.00 25 INH C29 −15.45 −24.21 58.40 15.00 25 INH O30 −16.52 −24.58 57.49 15.00 25 INH C31 −17.56 −23.66 57.05 15.00 25 INH O32 −47.32 −22.74 56.27 15.00 25 INH C33 −19.95 −23.09 57.18 15.00 25 INH C34 −21.23 −23.90 57.35 15.00 25 INH C35 −21.11 −25.25 58.03 15.00 25 INH C36 −22.32 −25.59 58.89 15.00 25 INH C37 −20.84 −26.31 56.99 15.00 25 INH C38 −20.07 −21.83 58.03 15.00 25 INH O39 −19.74 −21.86 59.22 15.00 25 INH N40 −20.56 −20.70 57.43 15.00 25 INH N41 −20.70 −19.44 58.21 15.00 25 INH N42 −18.78 −23.90 57.54 15.00 26 TRP N −22.83 −21.19 62.21 15.00 26 TRP CA −22.70 −22.53 62.79 15.00 26 TRP CB −21.33 −23.13 62.41 15.00 26 TRP CG −20.12 −22.32 62.88 15.00 26 TRP CD2 −19.43 −22.44 64.14 15.00 26 TRP CE2 −18.42 −21.46 64.16 15.00 26 TRP CE3 −19.58 −23.27 65.26 15.00 26 TRP CD1 −19.50 −21.31 62.20 15.00 26 TRP NE1 −18.48 −20.79 62.96 15.00 26 TRP CZ2 −17.56 −21.29 65.25 15.00 26 TRP CZ3 −18.73 −23.10 66.34 15.00 26 TRP CH2 −17.73 −22.11 66.33 15.00 26 TRP C −22.87 −22.47 64.31 15.00 26 TRP O −23.46 −23.36 64.91 15.00 27 ALA N −22.37 −21.39 64.90 15.00 27 ALA CA −22.43 −21.17 66.34 15.00 27 ALA CB −21.53 −20.00 66.72 15.00 27 ALA C −23.87 −20.90 66.77 15.00 27 ALA O −24.34 −21.42 67.78 15.00 28 PHE N −24.55 −20.06 65.99 15.00 28 PHE CA −25.94 −19.71 66.23 15.00 28 PHE CB −26.38 −18.58 65.29 15.00 28 PHE CG −25.85 −17.23 65.70 15.00 28 PHE CD1 −24.59 −16.81 65.30 15.00 28 PHE CD2 −26.60 −16.39 66.52 15.00 28 PHE CE1 −24.08 −15.57 65.70 15.00 28 PHE CE2 −26.09 −15.15 66.93 15.00 28 PHE CZ −24.83 −14.74 66.52 15.00 28 PHE C −26.86 −20.93 66.07 15.00 28 PHE O −27.82 −21.10 66.82 15.00 29 SER N −26.54 −21.81 65.13 15.00 29 SER CA −27.33 −23.01 64.93 15.00 29 SER CB −26.85 −23.73 63.66 15.00 29 SER OG −27.55 −24.93 63.47 15.00 29 SER C −27.19 −23.93 66.16 15.00 29 SER O −28.19 −24.39 66.71 15.00 30 SER N −25.95 −24.16 66.59 15.00 30 SER CA −25.63 −25.00 67.75 15.00 30 SER CB −24.12 −24.97 68.04 15.00 30 SER OG −23.34 −25.28 66.91 15.00 30 SER C −26.36 −24.51 68.98 15.00 30 SER O −27.02 −25.26 69.69 15.00 31 VAL N −26.16 −23.23 69.26 15.00 31 VAL CA −26.76 −22.55 70.39 15.00 31 VAL CB −26.31 −21.07 70.38 15.00 31 VAL CG1 −27.42 −20.13 70.84 15.00 31 VAL CG2 −25.08 −20.92 71.26 15.00 31 VAL C −28.28 −22.70 70.37 15.00 31 VAL O −28.87 −23.11 71.37 15.00 32 GLY N −28.89 −22.44 69.22 15.00 32 GLY CA −30.32 −22.56 69.08 15.00 32 GLY C −30.79 −23.96 69.45 15.00 32 GLY O −31.80 −24.12 70.14 15.00 33 ALA N −30.03 −24.96 69.01 15.00 33 ALA CA −30.35 −26.35 69.30 15.00 33 ALA CB −29.44 −27.29 68.48 15.00 33 ALA C −30.24 −26.64 70.80 15.00 33 ALA O −31.11 −27.29 71.38 15.00 34 LEU N −29.17 −26.15 71.42 15.00 34 LEU CA −28.96 −26.37 72.84 15.00 34 LEU CB −27.61 −25.82 73.28 15.00 34 LEU CG −26.39 −26.66 72.87 15.00 34 LEU CD1 −25.12 −25.82 72.89 15.00 34 LEU CD2 −26.27 −27.87 73.78 15.00 34 LEU C −30.09 −25.73 73.66 15.00 34 LEU O −30.62 −26.34 74.59 15.00 35 GLU N −30.48 −24.53 73.25 15.00 35 GLU CA −31.55 −23.78 73.90 15.00 35 GLU CB −31.70 −22.41 73.25 15.00 35 GLU CG −30.49 −21.53 73.41 15.00 35 GLU CD −30.59 −20.25 72.60 15.00 35 GLU OE1 −31.42 −20.17 71.67 15.00 35 CLU OE2 −29.81 −19.32 72.90 15.00 35 GLU C −32.89 −24.52 73.87 15.00 35 GLU O −33.66 −24.41 74.81 15.00 36 GLY N −33.16 −25.25 72.79 15.00 36 GLY CA −34.41 −25.97 72.72 15.00 36 GLY C −34.42 −27.05 73.78 15.00 36 GLY O −35.32 −27.13 74.61 15.00 37 GLN N −33.35 −27.86 73.77 15.00 37 GLN CA −33.18 −28.95 74.71 15.00 37 GLN CB −31.95 −29.77 74.32 15.00 37 GLN CG −32.01 −30.34 72.91 15.00 37 GLN CD −33.22 −31.25 72.69 15.00 37 GLN OE1 −33.31 −32.35 73.26 15.00 37 GLN NE2 −34.16 −30.78 71.87 15.00 37 GLN C −33.10 −28.48 76.17 15.00 37 GLN O −33.70 −29.09 77.06 15.00 38 LEU N −32.38 −27.39 76.40 15.00 38 LEU CA −32.27 −26.87 77.75 15.00 38 LEU CB −31.39 −25.63 77.79 15.00 38 LEU CG −31.34 −25.01 79.18 15.00 38 LEU CD1 −30.49 −25.87 80.11 15.00 38 LEU CD2 −30.79 −23.61 79.08 15.00 38 LEU C −33.65 −26.51 78.26 15.00 38 LEU O −33.97 −26.73 79.43 15.00 39 LYS N −34.45 −25.90 77.38 15.00 39 LYS CA −35.81 −25.51 77.72 15.00 39 LYS CB −36.42 −24.72 76.55 15.00 39 LYS CG −37.63 −23.88 76.91 15.00 39 LYS CD −38.88 −24.71 77.08 15.00 39 LYS CE −39.79 −24.14 78.15 15.00 39 LYS NZ −39.99 −22.66 78.01 15.00 39 LYS C −36.61 −26.78 78.00 15.00 39 LYS O −37.28 −26.89 79.04 15.00 40 LYS N −36.48 −27.75 77.11 15.00 40 LYS CA −37.19 −29.01 77.23 15.00 40 LYS CB −36.93 −29.90 76.01 15.00 40 LYS CG −37.84 −31.13 75.91 15.00 40 LYS CD −37.59 −31.87 74.60 15.00 40 LYS CE −37.06 −33.28 74.85 15.00 40 LYS NZ −36.36 −33.87 73.66 15.00 40 LYS C −36.82 −29.76 78.51 15.00 40 LYS O −37.69 −30.36 79.16 15.00 41 LYS N −35.55 −29.66 78.92 15.00 41 LYS CA −35.08 −30.37 80.10 15.00 41 LYS CB −33.60 −30.71 79.95 15.00 41 LYS CG −33.12 −31.74 80.95 15.00 41 LYS CD −31.66 −32.10 80.76 15.00 41 LYS CE −31.18 −33.02 81.87 15.00 41 LYS NZ −31.86 −34.35 81.80 15.00 41 LYS C −35.32 −29.68 81.45 15.00 41 LYS O −35.76 −30.32 82.40 15.00 42 THR N −35.04 −28.38 81.51 15.00 42 THR CA −35.19 −27.62 82.75 15.00 42 THR CB −34.00 −26.66 82.95 15.00 42 THR OG1 −34.10 −25.58 82.01 15.00 42 THR CG2 −32.68 −27.39 82.71 15.00 42 THR C −36.46 −26.78 82.86 15.00 42 THR O −36.86 −26.41 83.96 15.00 43 GLY N −37.04 −26.42 81.73 15.00 43 GLY CA −38.24 −25.60 81.75 15.00 43 GLY C −37.95 −24.12 81.59 15.00 43 GLY C −38.88 −23.31 81.62 15.00 44 LYS N −36.67 −23.75 81.48 15.00 44 LYS CA −36.28 −22.35 81.31 15.00 44 LYS CB −35.14 −21.96 82.26 15.00 44 LYS CG −35.58 −21.64 83.67 15.00 44 LYS CD −35.80 −22.90 84.47 15.00 44 LYS CE −34.48 −23.49 84.91 15.00 44 LYS NZ −33.81 −22.59 85.90 15.00 44 LYS C −35.82 −22.07 79.87 15.00 44 LYS O −35.33 −22.95 79.19 15.00 45 LEU N −35.97 −20.82 79.44 15.00 45 LEU CA −35.56 −20.40 78.11 15.00 45 LEU CB −36.79 −20.00 77.26 15.00 45 LEU CG −36.54 −19.61 75.80 15.00 45 LEU CD1 −36.32 −20.88 74.98 15.00 45 LEU CD2 −37.71 −18.81 75.22 15.00 45 LEU C −34.65 −19.18 78.26 15.00 45 LEU O −35.09 −18.11 78.69 15.00 46 LEU N −33.36 −19.38 78.00 15.00 46 LEU CA −32.41 −18.30 78.06 15.00 46 LEU CB −31.64 −18.25 79.40 15.00 46 LEU CG −30.80 −19.34 80.08 15.00 46 LEU CD1 −31.61 −20.01 81.15 15.00 46 LEU CD2 −30.27 −20.35 79.09 15.00 46 LEU C −31.46 −18.38 76.86 15.00 46 LEU C −31.39 −19.40 76.17 15.00 47 ASN N −30.79 −17.27 76.59 15.00 47 ASN CA −29.86 −17.18 75.47 15.00 47 ASN CB −29.74 −15.73 75.04 15.00 47 ASN CG −31.07 −15.14 74.66 15.00 47 ASN OD1 −31.74 −15.64 73.75 15.00 47 ASN ND2 −31.50 −14.13 75.39 15.00 47 ASN C −28.51 −17.75 75.81 15.00 47 ASN O −27.91 −17.37 76.81 15.00 48 LEU N −28.07 −18.74 75.05 15.00 48 LEU CA −26.77 −19.34 75.27 15.00 48 LEU CB −26.81 −20.84 74.95 15.00 48 LEU CG −27.74 −21.60 75.90 15.00 48 LEU CD1 −27.67 −23.09 75.67 15.00 48 LEU CD2 −27.37 −21.30 77.33 15.00 48 LEU C −25.77 −18.57 74.42 15.00 48 LEU O −26.17 −17.88 73.47 15.00 49 SER N −24.50 −18.67 74.76 15.00 49 SER CA −23.45 −17.92 74.09 15.00 49 SER CB −22.32 −17.62 75.08 15.00 49 SER OG −21.28 −16.87 74.48 15.00 49 SER C −22.83 −18.44 72.80 15.00 49 SER O −22.08 −19.40 72.82 15.00 50 PRO N −23.10 −17.78 71.67 15.00 50 PRO CD −24.13 −16.75 71.42 15.00 50 PRC CA −22.50 −18.23 70.41 15.00 50 PRO CB −23.27 −17.43 69.35 15.00 50 PRO CG −24.58 −17.10 70.04 15.00 50 PRO C −21.01 −17.85 70.42 15.00 50 PRC O −20.16 −18.58 69.92 15.00 51 GLN N −20.70 −16.70 71.03 15.00 51 GLN CA −19.34 −16.20 71.12 15.00 51 GLN CB −19.32 −14.84 71.83 15.00 51 GLN CG −18.00 −14.10 71.73 15.00 51 GLN CD −17.72 −13.59 70.34 15.00 51 GLN OE1 −18.55 −12.90 69.73 15.00 51 GLN NE2 −16.55 −13.90 69.82 15.00 51 GLN C −18.45 −17.21 71.86 15.00 51 GLN O −17.28 −17.39 71.50 15.00 52 ASN N −19.01 −17.87 72.87 15.00 52 ASN CA −18.28 −18.88 73.62 15.00 52 ASN CB −19.24 −19.57 74.60 15.00 52 ASN CG −18.54 −20.47 75.63 15.00 52 ASN OD1 −19.19 −20.95 76.57 15.00 52 ASN ND2 −17.24 −20.70 75.48 15.00 52 ASN C −17.74 −19.88 72.59 15.00 52 ASN O −16.55 −20.22 72.60 15.00 53 LEU N −18.60 −20.31 71.68 15.00 53 LEU CA −18.22 −21.26 70.64 15.00 53 LEU CB −19.47 −21.70 69.86 15.00 53 LEU CG −20.37 −22.81 70.42 15.00 53 LEU CD1 −20.05 −23.13 71.87 15.00 53 LEU CD2 −21.83 −22.41 70.22 15.00 53 LEU C −17.18 −20.69 69.68 15.00 53 LEU O −16.17 −21.33 69.40 15.00 54 VAL N −17.44 −19.48 69.18 15.00 54 VAL CA −16.55 −18.82 68.23 15.00 54 VAL CB −17.03 −17.36 67.92 15.00 54 VAL CG1 −15.96 −16.58 67.19 15.00 54 VAL CG2 −18.28 −17.40 67.05 15.00 54 VAL C −15.10 −18.79 68.72 15.00 54 VAL O −14.19 −19.17 67.98 15.00 55 ASP N −14.90 −18.37 69.96 15.00 55 ASP CA −13.56 −18.26 70.51 15.00 55 ASP CB −13.56 −17.25 71.67 15.00 55 ASP CG −14.04 −15.87 71.27 15.00 55 ASP OD1 −14.02 −15.54 70.06 15.00 55 ASP OD2 −14.43 −15.10 72.18 15.00 55 ASP C −12.93 −19.55 71.04 15.00 55 ASP O −11.72 −19.70 71.00 15.00 56 CYS N −13.76 −20.47 71.50 15.00 56 CYS CA −13.26 −21.69 72.14 15.00 56 CYS C −13.18 −23.02 71.37 15.00 56 CYS O −12.34 −23.86 71.72 15.00 56 CYS CB −14.03 −21.89 73.45 15.00 56 CYS SG −14.05 −20.41 74.53 15.00 57 VAL N −14.03 −23.22 70.37 15.00 57 VAL CA −14.00 −24.47 69.62 15.00 57 VAL CB −15.34 −24.76 68.86 15.00 57 VAL CG1 −15.38 −26.20 68.38 15.00 57 VAL CG2 −16.52 −24.51 69.77 15.00 57 VAL C −12.80 −24.45 68.66 15.00 57 VAL O −12.85 −23.83 67.60 15.00 58 SER N −11.72 −25.10 69.08 15.00 58 SER CA −10.48 −25.16 68.32 15.00 58 SER CB −9.34 −25.68 69.21 15.00 58 SER OG −9.70 −26.91 69.82 15.00 58 SER C −10.53 −25.97 67.03 15.00 58 SER O −9.67 −25.81 66.17 15.00 59 GLU N −11.4.9 −26.88 66.92 15.00 59 GLU CA −11.62 −27.68 65.70 15.00 59 GLU CB −12.33 −29.00 65.99 15.00 59 GLU CG −11.57 −29.96 66.92 15.00 59 GLU CD −11.66 −29.59 68.40 15.00 59 GLU OE1 −10.69 −29.88 69.12 15.00 59 GLU OE2 −12.69 −29.03 68.85 15.00 59 GLU C −12.37 −26.89 64.62 15.00 59 GLU O −12.48 −27.34 63.49 15.00 60 ASN N −12.91 −25.73 64.98 15.00 60 ASN CA −13.65 −24.87 64.06 15.00 60 ASN CB −14.99 −24.44 64.66 15.00 60 ASN CG −16.08 −25.51 64.51 15.00 60 ASN OD1 −17.16 −25.38 65.08 15.00 60 ASN ND2 −15.79 −26.55 63.74 15.00 60 ASN C −12.81 −23.65 63.73 15.00 60 ASN O −11.76 −23.44 64.35 15.00 61 ASP N −13.28 −22.85 62.78 15.00 61 ASP CA −12.53 −21.67 62.38 15.00 61 ASP CB −12.22 −21.74 60.88 15.00 61 ASP CG −11.54 −23.04 60.50 15.00 61 ASP OD1 −12.02 −23.72 59.56 15.00 61 ASP OD2 −10.54 −23.41 61.16 15.00 61 ASP C −13.13 −20.31 62.74 15.00 61 ASP O −12.89 −19.32 62.04 15.00 62 GLY N −13.88 −20.27 63.83 15.00 62 GLY CA −14.48 −19.03 64.30 15.00 62 GLY C −15.34 −18.30 63.30 15.00 62 GLY O −16.37 −18.81 62.87 15.00 63 CYS N −14.96 −17.07 62.96 15.00 63 CYS CA −15.71 −16.28 61.99 15.00 63 CYS C −15.49 −16.79 60.56 15.00 63 CYS O −16.19 −16.39 59.63 15.00 63 CYS CB −15.37 −14.79 62.10 15.00 63 CYS SG −16.14 −13.94 63.53 15.00 64 GLY N −14.55 −17.71 60.41 15.00 64 GLY CA −14.27 −18.27 59.10 15.00 64 GLY C −15.11 −19.50 58.79 15.00 64 GLY O −14.95 −20.10 57.73 15.00 65 GLY N −15.94 −19.92 59.74 15.00 65 GLY CA −16.78 −21.08 59.52 15.00 65 GLY C −16.54 −22.20 60.51 15.00 65 GLY O −15.54 −22.20 61.24 15.00 66 GLY N −17.44 −23.18 60.52 15.00 66 GLY CA −17.29 −24.31 61.41 15.00 66 GLY C −18.41 −25.32 61.27 15.00 66 GLY O −19.25 −25.19 60.37 15.00 67 TYR N −18.41 −26.34 62.13 15.00 67 TYR CA −19.42 −27.39 62.15 15.00 67 TYR CB −18.78 −28.74 61.83 15.00 67 TYR CG −18.30 −28.84 60.41 15.00 67 TYR CD1 −19.02 −29.55 59.47 15.00 67 TYR CE1 −18.62 −29.59 58.13 15.00 67 TYR CD2 −17.15 −28.16 60.00 15.00 67 TYR CE2 −16.74 −28.19 58.67 15.00 67 TYR CZ −17.48 −28.90 57.74 15.00 67 TYR OH −17.12 −28.88 56.42 15.00 67 TYR C −20.12 −27.46 63.51 15.00 67 TYR O −19.48 −27.31 64.54 15.00 68 MET N −21.43 −27.73 63.50 15.00 68 MET CA −22.22 −27.81 64.73 15.00 68 MET CB −23.72 −27.83 64.41 15.00 68 MET CG −24.26 −26.60 63.63 15.00 68 MET SD −24.05 −26.62 61.79 15.00 68 MET CE −25.42 −27.66 61.31 15.00 68 MET C −21.84 −29.02 65.61 15.00 68 MET O −21.89 −28.95 66.84 15.00 69 THR N −21.48 −30.12 64.98 15.00 69 THR CA −21.08 −31.33 65.70 15.00 69 THR CB −20.80 −32.51 64.73 15.00 69 THR OG1 −20.08 −32.02 63.58 15.00 69 THR CG2 −22.12 −33.15 64.27 15.00 69 THR C −19.82 −31.05 66.53 15.00 69 THR O −19.67 −31.55 67.66 15.00 70 ASN N −18.94 −30.21 65.99 15.00 70 ASN CA −17.72 −29.85 66.69 15.00 70 ASN CB −16.76 −29.07 65.79 15.00 70 ASN CG −15.89 −29.97 64.95 15.00 70 ASN OD1 −15.35 −29.56 63.93 15.00 70 ASN ND2 −15.72 −31.21 65.39 15.00 70 ASN C −18.08 −29.02 67.91 15.00 70 ASN O −17.57 −29.25 69.00 15.00 71 ALA N −19.02 −28.09 67.71 15.00 71 ALA CA −19.50 −27.22 68.77 15.00 71 ALA CB −20.49 −26.20 68.21 15.00 71 ALA C −20.14 −28.02 69.90 15.00 71 ALA O −19.88 −27.76 71.07 15.00 72 PHE N −20.90 −29.05 69.55 15.00 72 PHE CA −21.56 −29.89 70.55 15.00 72 PHE CB −22.55 −30.86 69.89 15.00 72 PHE CG −23.72 −30.18 69.24 15.00 72 PHE CD1 −24.30 −29.05 69.82 15.00 72 PHE CD2 −24.23 −30.65 68.04 15.00 72 PHE CE1 −25.38 −28.41 69.21 15.00 72 PHE CE2 −25.31 −30.01 67.42 15.00 72 PHE CZ −25.89 −28.89 68.01 15.00 72 PHE C −20.53 −30.68 71.37 15.00 72 PHE O −20.66 −30.76 72.60 15.00 73 GLN N −19.55 −31.27 70.69 15.00 73 GLN CA −18.50 −32.05 71.34 15.00 73 GLN CB −17.52 −32.66 70.34 15.00 73 GLN CG −18.09 −33.80 69.51 15.00 73 GLN CD −17.03 −34.63 68.79 15.00 73 GLN OE1 −17.20 −35.01 67.62 15.00 73 GLN NE2 −15.95 −34.94 69.49 15.00 73 GLN C −17.75 −31.16 72.30 15.00 73 GLN O −17.35 −31.61 73.38 15.00 74 TYR N −17.55 −29.89 71.92 15.00 74 TYR CA −16.84 −28.94 72.75 15.00 74 TYR CB −16.75 −27.57 72.08 15.00 74 TYR CG −16.46 −26.43 73.03 15.00 74 TYR CD1 −15.18 −26.26 73.58 15.00 74 TYR CE1 −14.91 −25.23 74.50 15.00 74 TYR CD2 −17.46 −25.54 73.42 15.00 74 TYR CE2 −17.21 −24.51 74.34 15.00 74 TYR CZ −15.93 −24.36 74.88 15.00 74 TYR OH −15.69 −23.36 75.78 15.00 74 TYR C −17.58 −28.81 74.06 15.00 74 TYR O −17.02 −29.09 75.12 15.00 75 VAL N −18.84 −28.39 73.99 15.00 75 VAL CA −19.67 −28.21 75.17 15.00 75 VAL CB −21.14 −27.89 74.77 15.00 75 VAL CG1 −22.00 −27.77 76.01 15.00 75 VAL CG2 −21.20 −26.59 73.96 15.00 75 VAL C −19.61 −29.43 76.09 15.00 75 VAL O −19.55 −29.27 77.31 15.00 76 GLN N −19.56 −30.63 75.51 15.00 76 GLN CA −19.48 −31.85 76.29 15.00 76 GLN CB −19.68 −33.09 75.42 15.00 76 GLN CG −19.53 −34.39 76.19 15.00 76 GLN CD −19.73 −35.63 75.35 15.00 76 GLN OE1 −19.39 −35.66 74.17 15.00 76 GLN NE2 −20.27 −36.67 75.97 15.00 76 GLN C −18.15 −31.96 77.03 15.00 76 GLN O −18.14 −32.20 78.23 15.00 77 LYS N −17.05 −31.81 76.30 15.00 77 LYS CA −15.70 −31.90 76.87 15.00 77 LYS CB −14.63 −31.71 75.79 15.00 77 LYS CG −14.73 −32.63 74.61 15.00 77 LYS CD −14.44 −34.07 74.97 15.00 77 LYS CE −14.49 −34.96 73.73 15.00 77 LYS NZ −13.56 −34.52 72.63 15.00 77 LYS C −15.51 −30.80 77.93 15.00 77 LYS O −15.07 −31.05 79.04 15.00 78 ASN N −15.87 −29.58 77.55 15.00 78 ASN CA −15.78 −28.42 78.42 15.00 78 ASN CB −16.11 −27.17 77.61 15.00 78 ASN CG −15.75 −25.90 78.33 15.00 78 ASN OD1 −14.65 −25.77 78.86 15.00 78 ASN ND2 −16.66 −24.93 78.33 15.00 78 ASN C −16.76 −28.55 79.61 15.00 78 ASN O −16.66 −27.82 80.59 15.00 79 ARG N −17.70 −29.48 79.47 15.00 79 ARG CA −18.73 −29.76 80.46 15.00 79 ARG CB −18.11 −30.22 81.77 15.00 79 ARC CG −17.42 −31.56 81.70 15.00 79 ARG CD −16.95 −31.93 83.08 15.00 79 ARG NE −16.17 −33.15 83.11 15.00 79 ARG CZ −14.86 −33.22 82.89 15.00 79 ARG NH1 −14.17 −32.13 82.58 15.00 79 ARG NH2 −14.21 −34.37 83.07 15.00 79 ARG C −19.66 −28.58 80.71 15.00 79 ARG O −20.27 −28.49 81.78 15.00 80 GLY N −19.79 −27.70 79.72 15.00 80 GLY CA −20.65 −26.55 79.87 15.00 80 GLY C −20.48 −25.48 78.81 15.00 80 GLY O −19.54 −25.52 78.01 15.00 81 ILE N −21.41 −24.53 78.80 15.00 81 ILE CA −21.40 −23.40 77.88 15.00 81 ILE CB −22.23 −23.68 76.58 15.00 81 ILE CG2 −23.68 −24.05 76.93 15.00 81 ILE CG1 −22.19 −22.46 75.64 15.00 81 ILE CD1 −22.89 −22.66 74.31 15.00 81 ILE C −21.99 −22.20 78.62 15.00 81 ILE O −22.91 −22.35 79.43 15.00 82 ASP N −21.44 −21.02 78.37 15.00 82 ASP CA −21.91 −19.81 79.01 15.00 82 ASP CB −20.85 −18.71 78.94 15.00 82 ASP CG −19.73 −18.92 79.95 15.00 82 ASP OD1 −18.66 −18.32 79.78 15.00 82 ASP OD2 −19.93 −19.69 80.91 15.00 82 ASP C −23.21 −19.25 78.45 15.00 82 ASP O −23.63 −19.58 77.33 15.00 83 SER N −23.86 −18.43 79.26 15.00 83 SER CA −25.09 −17.78 78.85 15.00 83 SER CB −25.92 −17.36 80.08 15.00 83 SER OG −25.25 −16.38 80.86 15.00 83 SER C −24.65 −16.55 78.06 15.00 83 SER O −23.50 −16.10 78.17 15.00 84 GLU N −25.56 −16.01 77.26 15.00 84 GLU CA −25.27 −14.83 76.47 15.00 84 GLU CB −26.53 −14.40 75.70 15.00 84 GLU CG −26.39 −13.10 74.93 15.00 84 GLU CD −25.30 −13.12 73.85 15.00 84 GLU OE1 −24.76 −12.04 73.52 15.00 84 GLU OE2 −24.98 −14.22 73.33 15.00 84 GLU C −24.77 −13.70 77.38 15.00 84 GLU O −23.77 −13.09 77.06 15.00 85 ASP N −25.44 −13.47 78.51 15.00 85 ASP CA −25.05 −12.41 79.46 15.00 85 ASP CB −26.03 −12.35 80.65 15.00 85 ASP CG −27.20 −11.39 80.42 15.00 85 ASP OD1 −27.86 −11.50 79.37 15.00 85 ASP OD2 −27.47 −10.53 81.29 15.00 85 ASP C −23.62 −12.54 79.98 15.00 85 ASP O −22.89 −11.55 80.07 15.00 86 ALA N −23.23 −13.77 80.27 15.00 86 ALA CA −21.91 −14.09 80.78 15.00 86 ALA CB −21.95 −15.45 81.49 15.00 86 ALA C −20.79 −14.09 79.71 15.00 86 ALA O −19.61 −14.21 80.04 15.00 87 TYR N −21.16 −13.98 78.44 15.00 87 TYR CA −20.18 −13.99 77.36 15.00 87 TYR CB −19.75 −15.44 77.09 15.00 87 TYR CG −18.36 −15.67 76.52 15.00 87 TYR CD1 −17.82 −14.83 75.54 15.00 87 TYR CE1 −16.55 −15.09 74.99 15.00 87 TYR CD2 −17.60 −16.76 76.94 15.00 87 TYR CE2 −16.34 −17.03 76.40 15.00 87 TYR CZ −15.82 −16.19 75.42 15.00 87 TYR OH −14.59 −16.49 74.88 15.00 87 TYR C −20.90 −13.42 76.14 15.00 87 TYR O −21.25 −14.15 75.22 15.00 88 PRO N −21.09 −12.09 76.11 15.00 88 PRO CD −20.58 −11.10 77.08 15.00 88 PRO CA −21.77 −11.42 75.00 15.00 88 PRO CB −21.83 −9.97 75.47 15.00 88 PRO CG −20.62 −9.82 76.28 15.00 88 PRO C −21.13 −11.58 73.62 15.00 88 PRO O −19.92 −11.77 73.47 15.00 89 TYR N −21.98 −11.45 72.61 15.00 89 TYR CA −21.56 −11.59 71.22 15.00 89 TYR CB −22.77 −11.93 70.35 15.00 89 TYR CG −22.41 −12.26 68.92 15.00 89 TYR CD1 −21.67 −13.41 68.62 15.00 89 TYR CE1 −21.30 −13.71 67.32 15.00 89 TYR CD2 −22.78 −11.43 67.87 15.00 89 TYR CE2 −22.41 −11.72 66.56 15.00 89 TYR CZ −21.68 −12.87 66.30 15.00 89 TYR OH −21.29 −13.15 65.01 15.00 89 TYR C −20.91 −10.31 70.72 15.00 89 TYR C −21.45 −9.21 70.89 15.00 90 VAL N −19.73 −10.45 70.13 15.00 90 VAL CA −19.01 −9.31 69.58 15.00 90 VAL CB −17.59 −9.14 70.23 15.00 90 VAL CG1 −17.71 −8.96 71.73 15.00 90 VAL CG2 −16.69 −10.31 69.89 15.00 90 VAL C −18.88 −9.45 68.06 15.00 90 VAL O −18.50 −8.50 67.38 15.00 91 GLY N −19.17 −10.63 67.53 15.00 91 GLY CA −19.08 −10.82 66.09 15.00 91 GLY C −17.67 −10.74 65.55 15.00 91 GLY O −17.44 −10.33 64.40 15.00 92 GLN N −16.71 −11.14 66.37 15.00 92 GLN CA −15.31 −11.12 66.00 15.00 92 GLN CB −14.73 −9.72 66.26 15.00 92 GLN CG −13.35 −9.49 65.65 15.00 92 GLN CD −12.71 −8.19 66.08 15.00 92 GLN OE1 −12.20 −7.44 65.24 15.00 92 GLN NE2 −12.73 −7.92 67.39 15.00 92 GLN C −14.60 −12.19 66.82 15.00 92 GLN O −15.02 −12.50 67.94 15.00 93 GLU N −13.54 −12.78 66.26 15.00 93 GLU CA −12.77 −13.82 66.94 15.00 93 GLU CB −11.86 −14.56 65.94 15.00 93 GLU CG −12.59 −15.03 64.68 15.00 93 GLU CD −11.65 −15.50 63.57 15.00 93 GLU OE1 −10.57 −14.88 63.36 15.00 93 GLU OE2 −12.02 −16.49 62.88 15.00 93 GLU C −11.92 −13.20 68.04 15.00 93 GLU O −11.31 −12.14 67.84 15.00 94 GLU N −11.90 −13.84 69.20 15.00 94 GLU CA −11.15 −13.38 70.36 15.00 94 GLU CB −12.03 −12.49 71.25 15.00 94 GLU CG −12.71 −11.36 70.48 15.00 94 GLU CD −13.30 −10.28 71.35 15.00 94 GLU OE1 −13.81 −10.60 72.43 15.00 94 GLU OE2 −13.27 −9.10 70.94 15.00 94 GLU C −10.70 −14.63 71.11 15.00 94 GLU O −11.13 −15.74 70.77 15.00 95 SER N −9.82 −14.46 72.10 15.00 95 SER CA −9.32 −15.60 72.86 15.00 95 SER CB −8.13 −15.19 73.73 15.00 95 SER OG −8.46 −14.11 74.58 15.00 95 SER C −10.40 −16.21 73.74 15.00 95 SER O −11.26 −15.51 74.26 15.00 96 CYS N −10.31 −17.52 73.95 15.00 96 CYS CA −11.30 −18.20 74.78 15.00 96 CYS C −11.28 −17.68 76.21 15.00 96 CYS O −10.25 −17.71 76.89 15.00 96 CYS CB −11.10 −19.72 74.74 15.00 96 CYS SG −12.37 −20.66 75.65 15.00 97 MET N −12.43 −17.18 76.66 15.00 97 MET CA −12.57 −16.63 77.99 15.00 97 MET CB −12.71 −15.10 77.90 15.00 97 MET CG −12.32 −14.33 79.15 15.00 97 MET SD −10.53 −14.18 79.36 15.00 97 MET CE −10.23 −15.44 80.61 15.00 97 MET C −13.83 −17.23 78.62 15.00 97 MET O −14.71 −16.50 79.08 15.00 98 TYR N −13.95 −18.55 78.57 15.00 98 TYR CA −15.11 −19.23 79.14 15.00 98 TYR CB −15.04 −20.74 78.86 15.00 98 TYR CG −16.04 −21.57 79.65 15.00 98 TYR CD1 −17.41 −21.44 79.44 15.00 98 TYR CE1 −18.32 −22.23 80.14 15.00 98 TYR CD2 −15.60 −22.52 80.59 15.00 98 TYR CE2 −16.51 −23.31 81.29 15.00 98 TYR CZ −17.87 −23.16 81.06 15.00 98 TYR OH −18.78 −23.95 81.71 15.00 98 TYR C −15.16 −19.00 80.66 15.00 98 TYR O −14.22 −19.33 81.36 15.00 99 ASN N −16.23 −18.37 81.13 15.00 99 ASN CA −16.39 −18.12 82.56 15.00 99 ASN CB −17.13 −16.81 82.81 15.00 99 ASN CG −17.36 −16.54 84.30 15.00 99 ASN OD1 −17.39 −17.46 85.12 15.00 99 ASN ND2 −17.54 −15.27 84.65 15.00 99 ASN C −17.18 −19.27 83.16 15.00 99 ASN O −18.38 −19.39 82.93 15.00 100 PRO N −16.53 −20.09 83.98 15.00 100 PRO CD −15.13 −19.95 84.42 15.00 100 PRC CA −17.17 −21.24 84.63 15.00 100 PRO CB −16.08 −21.75 85.57 15.00 100 PRO CG −14.80 −21.33 84.89 15.00 100 PRO C −18.43 −20.86 85.40 15.00 100 PRO O −19.41 −21.59 85.40 15.00 101 THR N −18.41 −19.69 86.04 15.00 101 THR CA −19.54 −19.24 86.84 15.00 101 THR CB −19.09 −18.26 87.95 15.00 101 THR OG1 −18.60 −17.04 87.37 15.00 101 THR CG2 −17.99 −18.90 88.79 15.00 101 THR C −20.73 −18.68 86.08 15.00 101 THR O −21.79 −18.43 86.66 15.00 102 GLY N −20.57 −18.48 84.77 15.00 102 GLY CA −21.68 −17.98 83.97 15.00 102 GLY C −22.30 −19.14 83.21 15.00 102 GLY O −23.13 −18.94 82.32 15.00 103 LYS N −21.88 −20.35 83.54 15.00 103 LYS CA −22.36 −21.57 82.90 15.00 103 LYS CB −21.73 −22.79 83.58 15.00 103 LYS CG −22.11 −24.13 82.98 15.00 103 LYS CD −21.50 −25.25 83.81 15.00 103 LYS CE −21.82 −25.07 85.28 15.00 103 LYS NZ −21.22 −26.16 86.10 15.00 103 LYS C −23.89 −21.67 82.95 15.00 103 LYS O −24.50 −21.54 84.00 15.00 104 ALA N −24.5O −21.89 81.79 15.00 104 ALA CA −25.95 −21.97 81.72 15.00 104 ALA CB −26.48 −20.90 80.77 15.00 104 ALA C −26.45 −23.35 81.32 15.00 104 ALA O −27.63 −23.65 81.46 15.00 105 ALA N −25.55 −24.18 80.78 15.00 105 ALA CA −25.91 −25.53 80.36 15.00 105 ALA CB −26.98 −25.48 79.27 15.00 105 ALA C −24.70 −26.30 79.86 15.00 105 ALA O −23.56 −25.84 80.00 15.00 106 LYS N −24.95 −27.48 79.33 15.00 106 LYS CA −23.93 −28.36 78.78 15.00 106 LYS CB −23.12 −29.05 79.90 15.00 106 LYS CG −23.87 −30.12 80.70 15.00 106 LYS CD −22.93 −30.93 81.56 15.00 106 LYS CE −23.66 −31.74 82.65 15.00 106 LYS NZ −24.38 −32.97 82.21 15.00 106 LYS C −24.70 −29.41 77.99 15.00 106 LYS O −25.89 −29.23 77.73 15.00 107 CYS N −24.03 −30.47 77.57 15.00 107 CYS CA −24.67 −31.55 76.85 15.00 107 CYS CB −24.96 −31.18 75.39 15.00 107 CYS SG −23.57 −31.18 74.26 15.00 107 CYS C −23.77 −32.77 76.95 15.00 107 CYS O −22.60 −32.67 77.31 15.00 108 ARG N −24.35 −33.94 76.70 15.00 108 ARG CA −23.62 −35.19 76.78 15.00 108 ARG CB −24.30 −36.10 77.80 15.00 108 ARG CG −24.56 −35.39 79.13 15.00 108 ARG CD −24.78 −36.37 80.25 15.00 108 ARG NE −26.08 −37.03 80.17 15.00 108 ARG CZ −26.31 −38.29 80.55 15.00 108 ARG NH1 −25.34 −39.05 81.03 15.00 108 ARG NH2 −27.55 −38.77 80.48 15.00 108 ARG C −23.52 −35.88 75.42 15.00 108 ARG O −23.75 −37.08 75.29 15.00 109 GLY N −23.15 −35.11 74.40 15.00 109 GLY CA −23.01 −35.66 73.07 15.00 109 GLY C −23.96 −35.04 72.06 15.00 109 GLY O −24.53 −33.97 72.30 15.00 110 TYR N −24.12 −35.71 70.92 15.00 110 TYR CA −24.99 −35.26 69.85 15.00 110 TYR CB −24.28 −34.21 68.99 15.00 110 TYR CG −23.06 −34.73 68.24 15.00 110 TYR CD1 −21.77 −34.40 68.67 15.00 110 TYR CE1 −20.65 −34.80 67.94 15.00 110 TYR CD2 −23.19 −35.48 67.08 15.00 110 TYR CE2 −22.08 −35.89 66.35 15.00 110 TYR CZ −20.81 −35.54 66.79 15.00 110 TYR OH −19.71 −35.91 66.03 15.00 110 TYR C −25.41 −36.44 68.98 15.00 110 TYR O −24.81 −37.52 69.04 15.00 111 ARG N −26.39 −36.20 68.12 15.00 111 ARG CA −26.91 −37.23 67.23 15.00 111 ARG CB −28.22 −37.78 67.83 15.00 111 ARG CG −28.86 −38.97 67.11 15.00 111 ARG CD −29.48 −38.54 65.78 15.00 111 ARG NE −30.34 −39.56 65.17 15.00 111 ARG CZ −31.14 −39.34 64.13 15.00 111 ARG NH1 −31.19 −38.13 63.58 15.00 111 ARG NH2 −31.92 −40.30 63.68 15.00 111 ARG C −27.13 −36.60 65.85 15.00 111 ARG O −27.70 −35.51 65.74 15.00 112 GLU N −26.67 −37.29 64.81 15.00 112 GLU CA −26.82 −36.82 63.43 15.00 112 GLU CB −25.52 −37.09 62.65 15.00 112 GLU CG −24.30 −36.39 63.23 15.00 112 GLU CD −23.02 −36.62 62.42 15.00 112 GLU OE1 −22.60 −35.70 61.69 15.00 112 GLU OE2 −22.42 −37.70 62.55 15.00 112 GLU C −27.99 −37.52 62.76 15.00 112 GLU O −28.31 −38.67 63.08 15.00 113 ILE N −28.66 −36.80 61.85 15.00 113 ILE CA −29.79 −37.35 61.11 15.00 113 ILE CB −30.77 −36.21 60.69 15.00 113 ILE CG2 −31.67 −36.67 59.56 15.00 113 ILE CG1 −31.62 −35.77 61.89 15.00 113 ILE CD1 −30.84 −35.23 63.06 15.00 113 ILE C −29.26 −38.07 59.87 15.00 113 ILE O −28.26 −37.65 59.27 15.00 114 PRO N −29.88 −39.21 59.49 15.00 114 PRO CD −31.02 −39.93 60.09 15.00 114 PRO CA −29.39 −39.90 58.30 15.00 114 PRO CB −30.43 −41.00 58.08 15.00 114 PRO CG −30.91 −41.30 59.46 15.00 114 PRO C −29.36 −38.89 57.15 15.00 114 PRO O −30.36 −38.22 56.87 15.00 115 GLU N −28.18 −38.70 56.57 15.00 115 GLU CA −27.97 −37.75 55.49 15.00 115 GLU CB −26.55 −37.89 54.96 15.00 115 GLU CG −26.25 −37.14 53.69 15.00 115 GLU CD −24.98 −37.66 53.04 15.00 115 GLU OE1 −25.08 −38.38 52.01 15.00 115 GLU OE2 −23.89 −37.37 53.58 15.00 115 GLU C −28.99 −37.89 54.35 15.00 115 GLU O −29.14 −38.97 53.79 15.00 116 GLY N −29.66 −36.78 54.03 15.00 116 GLY CA −30.66 −36.76 52.98 15.00 116 GLY C −32.05 −37.27 53.37 15.00 116 GLY O −33.00 −37.16 52.59 15.00 117 ASN N −32.17 −37.77 54.60 15.00 117 ASN CA −33.43 −38.32 55.09 15.00 117 ASN CB −33.14 −39.42 56.11 15.00 117 ASN CG −34.25 −40.47 56.18 15.00 117 ASN OD1 −35.40 −40.19 55.83 15.00 117 ASN ND2 −33.91 −41.67 56.64 15.00 117 ASN C −34.36 −37.28 55.72 15.00 117 ASN O −34.34 −37.10 56.93 15.00 118 GLU N −35.19 −36.64 54.89 15.00 118 GLU CA −36.16 −35.64 55.36 15.00 118 GLU CB −36.86 −34.94 54.19 15.00 118 GLU CG −36.01 −33.88 53.50 15.00 118 GLU CD −36.83 −32.98 52.60 15.00 118 GLU OE1 −36.94 −33.27 51.39 15.00 118 GLU OE2 −37.37 −31.97 53.11 15.00 118 GLU C −37.21 −36.24 56.30 15.00 118 GLU O −37.72 −35.57 57.19 15.00 119 LYS N −37.53 −37.52 56.08 15.00 119 LYS CA −38.47 −38.23 56.93 15.00 119 LYS CB −38.64 −39.66 56.41 15.00 119 LYS CG −39.73 −39.83 55.38 15.00 119 LYS CD −39.53 −41.10 54.58 15.00 119 LYS CE −38.51 −40.88 53.46 15.00 119 LYS NZ −38.97 −39.83 52.48 15.00 119 LYS C −37.91 −38.29 58.36 15.00 119 LYS O −38.58 −37.89 59.32 15.00 120 ALA N −36.70 −38.81 58.51 15.00 120 ALA CA −36.06 −38.92 59.81 15.00 120 ALA CB −34.71 −39.60 59.68 15.00 120 ALA C −35.91 −37.54 60.41 15.00 120 ALA O −36.06 −37.38 61.61 15.00 121 LEU N −35.63 −36.55 59.56 15.00 121 LEU CA −35.48 −35.17 60.05 15.00 121 LEU CB −35.11 −34.21 58.90 15.00 121 LEU CG −34.87 −32.75 59.33 15.00 121 LEU CD1 −33.74 −32.69 60.38 15.00 121 LEU CD2 −34.53 −31.88 58.12 15.00 121 LEU C −36.78 −34.71 60.72 15.00 121 LEU O −36.75 −34.17 61.83 15.00 122 LYS N −37.91 −34.94 60.05 15.00 122 LYS CA −39.23 −34.59 60.56 15.00 122 LYS CB −40.31 −35.02 59.58 15.00 122 LYS CG −41.74 −34.91 60.12 15.00 122 LYS CD −42.72 −35.57 59.17 15.00 122 LYS CE −44.11 −35.67 59.76 15.00 122 LYS NZ −45.10 −36.14 58.74 15.00 122 LYS C −39.44 −35.32 61.88 15.00 122 LYS O −39.88 −34.74 62.87 15.00 123 ARG N −39.14 −36.61 61.86 15.00 123 ARG CA −39.28 −37.46 63.03 15.00 123 ARG CB −38.80 −38.87 62.70 15.00 123 ARG CG −38.84 −39.87 63.86 15.00 123 ARG CD −37.70 −40.88 63.77 15.00 123 ARG NE −37.37 −41.20 62.38 15.00 123 ARG CZ −36.78 −42.32 61.98 15.00 123 ARG NH1 −36.45 −43.25 62.87 15.00 123 ARG NH2 −36.53 −42.51 60.69 15.00 123 ARG C −38.46 −36.88 64.19 15.00 123 ARG O −38.93 −36.84 65.32 15.00 124 ALA N −37.25 −36.42 63.89 15.00 124 ALA CA −36.37 −35.84 64.90 15.00 124 ALA CB −34.98 −35.61 64.35 15.00 124 ALA C −36.95 −34.53 65.45 15.00 124 ALA O −37.02 −34.33 66.66 15.00 125 VAL N −37.41 −33.66 64.57 15.00 125 VAL CA −37.99 −32.41 65.03 15.00 125 VAL CB −38.35 −31.48 63.87 15.00 125 VAL CG1 −38.98 −30.19 64.39 15.00 125 VAL CG2 −37.09 −31.17 63.06 15.00 125 VAL C −39.23 −32.65 65.89 15.00 125 VAL O −39.46 −31.94 66.87 15.00 126 ALA N −40.01 −33.67 65.53 15.00 126 ALA CA −41.22 −34.03 66.25 15.00 126 ALA CB −42.03 −35.02 65.44 15.00 126 ALA C −40.89 −34.61 67.62 15.00 126 ALA O −41.40 −34.14 68.64 15.00 127 ARG N −40.03 −35.62 67.64 15.00 127 ARG CA −39.61 −36.29 68.86 15.00 127 ARG CB −38.83 −37.54 68.48 15.00 127 ARG CG −38.45 −38.44 69.64 15.00 127 ARG CD −39.63 −39.28 70.13 15.00 127 ARG NE −40.15 −40.18 69.10 15.00 127 ARG CZ −41.18 −39.90 68.31 15.00 127 ARG NH1 −41.59 −40.78 67.41 15.00 127 ARG NH2 −41.81 −38.73 68.42 15.00 127 ARG C −38.75 −35.47 69.83 15.00 127 ARG O −39.05 −35.36 71.01 15.00 128 VAL N −37.64 −34.94 69.31 15.00 128 VAL CA −36.66 −34.21 70.11 15.00 128 VAL CB −35.23 −34.54 69.59 15.00 128 VAL CG1 −34.17 −33.72 70.32 15.00 128 VAL CG2 −34.95 −36.02 69.74 15.00 128 VAL C −36.82 −32.70 70.26 15.00 128 VAL O −36.73 −32.17 71.36 15.00 129 GLY N −37.00 −32.01 69.14 15.00 129 GLY CA −37.16 −30.56 69.20 15.00 129 GLY C −36.36 −29.91 68.08 15.00 129 GLY O −35.89 −30.62 67.18 15.00 130 PRO N −36.19 −28.57 68.11 15.00 130 PRO CD −36.66 −27.66 69.17 15.00 130 PRO CA −35.45 −27.83 67.09 15.00 130 PRO CB −35.23 −26.47 67.74 15.00 130 PRO CG −36.51 −26.30 68.52 15.00 130 PRO C −34.13 −28.52 66.74 15.00 130 PRO O −33.37 −28.91 67.63 15.00 131 VAL N −33.90 −28.72 65.45 15.00 131 VAL CA −32.71 −29.40 64.97 15.00 131 VAL CB −33.13 −30.65 64.15 15.00 131 VAL CG1 −31.93 −31.36 63.57 15.00 131 VAL CG2 −33.92 −31.61 65.03 15.00 131 VAL C −31.82 −28.49 64.13 15.00 131 VAL O −32.32 −27.69 63.34 15.00 132 SER N −30.51 −28.59 64.32 15.00 132 SER CA −29.56 −27.79 63.55 15.00 132 SER CB −28.18 −27.83 64.22 15.00 132 SER OG −28.20 −27.34 65.55 15.00 132 SER C −29.44 −28.37 62.14 15.00 132 SER O −29.41 −29.59 61.96 15.00 133 VAL N −29.39 −27.50 61.13 15.00 133 VAL CA −29.25 −27.94 59.75 15.00 133 VAL CB −30.63 −28.07 59.03 15.00 133 VAL CG1 −31.40 −29.29 59.53 15.00 133 VAL CG2 −31.45 −26.80 59.20 15.00 133 VAL C −28.37 −27.00 58.94 15.00 133 VAL O −28.12 −25.87 59.34 15.00 134 ALA N −27.86 −27.50 57.82 15.00 134 ALA CA −27.03 −26.73 56.91 15.00 134 ALA CB −25.65 −27.34 56.76 15.00 134 ALA C −27.75 −26.73 55.57 15.00 134 ALA O −28.29 −27.76 55.14 15.00 135 ILE N −27.80 −25.58 54.94 15.00 135 ILE CA −28.49 −25.45 53.66 15.00 135 ILE CB −29.82 −24.68 53.82 15.00 135 ILE CG2 −30.80 −25.45 54.70 15.00 135 ILE CG1 −29.52 −23.28 54.38 15.00 135 ILE CD1 −30.72 −22.40 54.52 15.00 135 ILE C −27.64 −24.61 52.73 15.00 135 ILE O −26.59 −24.09 53.13 15.00 136 ASP N −28.09 −24.49 51.49 15.00 136 ASP CA −27.42 −23.66 50.51 15.00 136 ASP CB −27.50 −24.28 49.11 15.00 136 ASP CG −27.02 −23.32 48.02 15.00 136 ASP OD1 −27.46 −23.49 46.88 15.00 136 ASP OD2 −26.22 −22.40 48.29 15.00 136 ASP C −28.19 −22.36 50.54 15.00 136 ASP O −29.34 −22.29 50.10 15.00 137 ALA N −27.58 −21.33 51.11 15.00 137 ALA CA −28.19 −20.02 51.21 15.00 137 ALA CB −28.14 −19.54 52.65 15.00 137 ALA C −27.47 −19.04 50.30 15.00 137 ALA O −27.42 −17.85 50.60 15.00 138 SER N −26.94 −19.53 49.20 15.00 138 SER CA −26.20 −18.66 48.30 15.00 138 SER CB −25.12 −19.44 47.57 15.00 138 SER OG −25.71 −20.45 46.78 15.00 138 SER C −27.06 −17.91 47.29 15.00 138 SER O −26.76 −16.77 46.94 15.00 139 LEU N −28.12 −18.55 46.82 15.00 139 LEU CA −28.99 −17.95 45.82 15.00 139 LEU CB −30.12 −18.91 45.46 15.00 139 LEU CG −29.76 −20.02 44.48 15.00 139 LEU CD1 −29.30 −19.40 43.18 15.00 139 LEU CD2 −28.67 −20.89 45.03 15.00 139 LEU C −29.56 −16.58 46.18 15.00 139 LEU O −29.93 −16.32 47.33 15.00 140 THR N −29.63 −15.71 45.19 15.00 140 THR CA −30.19 −14.37 45.38 15.00 140 THR CB −30.06 −13.54 44.09 15.00 140 THR OG1 −28.67 −13.30 43.82 15.00 140 THR CG2 −30.80 −12.20 44.20 15.00 140 THR C −31.65 −14.43 45.86 15.00 140 THR O −32.09 −13.62 46.69 15.00 141 SER N −32.38 −15.45 45.40 15.00 141 SER CA −33.77 −15.63 45.79 15.00 141 SER CB −34.39 −16.77 44.99 15.00 141 SER OG −33.78 −18.00 45.32 15.00 141 SER C −33.89 −15.89 47.29 15.00 141 SER O −34.94 −15.63 47.90 15.00 142 PHE N −32.82 −16.43 47.89 15.00 142 PHE CA −32.79 −16.70 49.33 15.00 142 PHE CB −31.71 −17.72 49.67 15.00 142 PHE CG −31.77 −18.20 51.08 15.00 142 PHE CD1 −32.45 −19.38 51.39 15.00 142 PHE CD2 −31.14 −17.49 52.10 15.00 142 PHE CE1 −32.51 −19.85 52.70 15.00 142 PHE CE2 −31.20 −17.95 53.41 15.00 142 PHE CZ −31.88 −19.14 53.72 15.00 142 PHE C −32.53 −15.40 50.08 15.00 142 PHE O −33.22 −15.09 51.06 15.00 143 GLN N −31.55 −14.64 49.60 15.00 143 GLN CA −31.19 −13.38 50.22 15.00 143 GLN CB −30.07 −12.72 49.44 15.00 143 GLN CG −29.68 −11.32 49.94 15.00 143 GLN CD −28.36 −10.81 49.37 15.00 143 GLN OE1 −28.05 −9.62 49.47 15.00 143 GLN NE2 −27.56 −11.71 48.80 15.00 143 GLN C −32.38 −12.43 50.33 15.00 143 GLN O −32.57 −11.75 51.35 15.00 144 PHE N −33.22 −12.40 49.30 15.00 144 PHE CA −34.36 −11.50 49.31 15.00 144 PHE CB −34.41 −10.73 47.98 15.00 144 PHE CG −33.22 −9.85 47.75 15.00 144 PHE CD1 −33.13 −8.59 48.35 15.00 144 PHE CD2 −32.17 −10.27 46.94 15.00 144 PHE CE1 −32.02 −7.77 48.15 15.00 144 PHE CE2 −31.05 −9.46 46.73 15.00 144 PHE CZ −30.98 −8.21 47.34 15.00 144 PHE C −35.73 −12.13 49.64 15.00 144 PHE O −36.77 −11.52 49.38 15.00 145 TYR N −35.72 −13.30 50.26 15.00 145 TYR CA −36.97 −13.98 50.63 15.00 145 TYR CB −36.68 −15.35 51.26 15.00 145 TYR CG −37.89 −15.98 51.94 15.00 145 TYR CD1 −38.72 −16.89 51.26 15.00 145 TYR CE1 −39.83 −17.45 51.89 15.00 145 TYR CD2 −38.21 −15.66 53.26 15.00 145 TYR CE2 −39.33 −16.22 53.90 15.00 145 TYR CZ −40.13 −17.12 53.21 15.00 145 TYR OH −41.21 −17.68 53.85 15.00 145 TYR C −37.81 −13.16 51.62 15.00 145 TYR O −37.27 −12.49 52.50 15.00 146 SER N −39.13 −13.26 51.50 15.00 146 SER CA −40.03 −12.55 52.41 15.00 146 SER CB −40.33 −11.12 51.96 15.00 146 SER OG −40.50 −11.03 50.57 15.00 146 SER C −41.31 −13.30 52.73 15.00 146 SER O −41.74 −13.31 53.88 15.00 147 LYS N −41.89 −14.00 51.76 15.00 147 LYS CA −43.13 −14.74 51.99 15.00 147 LYS CB −44.34 −13.80 51.82 15.00 147 LYS CG −44.60 −12.90 53.05 15.00 147 LYS CD −45.56 −11.75 52.75 15.00 147 LYS CE −45.63 −10.76 53.91 15.00 147 LYS NZ −46.25 −11.32 55.15 15.00 147 LYS C −43.30 −15.99 51.13 15.00 147 LYS O −42.68 −16.13 50.07 15.00 148 GLY N −44.12 −16.92 51.60 15.00 148 GLY CA −44.36 −18.14 50.87 15.00 148 GLY C −43.35 −19.22 51.18 15.00 148 GLY O −42.39 −19.00 51.90 15.00 149 VAL N −43.60 −20.42 50.67 15.00 149 VAL CA −42.69 −21.53 50.90 15.00 149 VAL CB −43.43 −22.89 50.72 15.00 149 VAL CG1 −42.46 −24.05 50.79 15.00 149 VAL CG2 −44.49 −23.05 51.80 15.00 149 VAL C −41.56 −21.34 49.88 15.00 149 VAL O −41.81 −21.30 48.67 15.00 150 TYR N −40.34 −21.13 50.37 15.00 150 TYR CA −39.19 −20.92 49.50 15.00 150 TYR CB −37.99 −20.42 50.30 15.00 150 TYR CG −36.72 −20.27 49.46 15.00 150 TYR CD1 −36.48 −19.11 48.72 15.00 150 TYR CE1 −35.31 −18.98 47.96 15.00 150 TYR CD2 −35.77 −21.30 49.41 15.00 150 TYR CE2 −34.59 −21.17 48.65 15.00 150 TYR CZ −34.37 −20.01 47.93 15.00 15O TYR OH −33.22 −19.88 47.19 15.00 150 TYR C −38.80 −22.18 48.76 15.00 150 TYR O −38.87 −23.29 49.30 15.00 151 TYR N −38.31 −21.98 47.54 15.00 151 TYR CA −37.87 −23.07 46.68 15.00 151 TYR CB −39.07 −23.95 46.31 15.00 151 TYR CG −38.80 −25.01 45.27 15.00 151 TYR CD1 −38.36 −26.28 45.62 15.00 151 TYR CE1 −38.19 −27.27 44.66 15.00 151 TYR CD2 −39.05 −24.75 43.92 15.00 151 TYR CE2 −38.88 −25.73 42.96 15.00 151 TYR CZ −38.46 −26.98 43.33 15.00 151 TYR OH −38.34 −27.95 42.36 15.00 151 TYR C −37.24 −22.44 45.44 15.00 151 TYR O −37.66 −21.37 45.00 15.00 152 ASP N −36.22 −23.11 44.89 15.00 152 ASP CA −35.52 −22.62 43.70 15.00 152 ASP CB −34.55 −21.50 44.08 15.00 152 ASP CG −33.97 −20.77 42.87 15.00 152 ASP OD1 −33.75 −21.39 41.81 15.00 152 ASP OD2 −33.72 −19.56 42.99 15.00 152 ASP C −34.75 −23.77 43.07 15.00 152 ASP O −33.90 −24.38 43.73 15.00 153 GLU N −35.01 −24.02 41.79 15.00 153 GLU CA −34.35 −25.09 41.04 15.00 153 GLU CB −34.78 −25.06 39.56 15.00 153 GLU CG −36.22 −25.45 39.26 15.00 153 GLU CD −36.59 −25.21 37.78 15.00 153 GLU OE1 −37.05 −24.09 37.45 15.00 153 GLU OE2 −36.40 −26.14 36.96 15.00 153 GLU C −32.84 −24.95 41.09 15.00 153 CLU C −32.12 −25.93 40.99 15.00 154 SER N −32.38 −23.71 41.20 15.00 154 SER CA −30.95 −23.41 41.24 15.00 154 SER CB −30.73 −21.93 40.92 15.00 15A SER OG −31.33 −21.57 39.69 15.00 154 SER C −30.25 −23.78 42.55 15.00 154 SER O −29.02 −23.75 42.63 15.00 155 CYS N −31.02 −24.11 43.58 15.00 155 CYS CA −30.44 −24.46 44.87 15.00 155 CYS C −29.58 −25.72 44.76 15.00 155 CYS O −29.98 −26.72 44.17 15.00 155 CYS CB −31.53 −24.65 45.92 15.00 155 CYS SG −31.12 −23.81 47.48 15.00 156 ASN N −28.40 −25.67 45.35 15.00 156 ASN CA −27.48 −26.80 45.29 15.00 156 ASN CB −26.09 −26.28 44.91 15.00 156 ASN CG −25.15 −27.39 44.45 15.00 156 ASN OD1 −25.21 −28.54 44.94 15.00 156 ASN ND2 −24.26 −27.05 43.53 15.00 156 ASN C −27.42 −27.58 46.61 15.00 156 ASN O −26.99 −27.06 47.64 15.00 157 SER N −27.80 −28.85 46.54 15.00 157 SER CA −27.82 −29.72 47.71 15.00 157 SER CB −28.66 −30.98 47.45 15.00 157 SER OG −28.07 −31.81 46.47 15.00 157 SER C −26.43 −30.14 48.17 15.00 157 SER O −26.27 −30.76 49.23 15.00 158 ASP N −25.42 −29.82 47.37 15.00 158 ASP CA −24.06 −30.18 47.69 15.00 158 ASP CB −23.44 −30.99 46.55 15.00 158 ASP CG −23.70 −32.49 46.69 15.00 158 ASP OD1 −24.30 −33.11 45.78 15.00 158 ASP OD2 −23.32 −33.05 47.75 15.00 158 ASP C −23.21 −29.01 48.14 15.00 158 ASP O −22.19 −29.21 48.79 15.00 159 ASN N −23.67 −27.80 47.85 15.00 159 ASN CA −22.95 −26.60 48.28 15.00 159 ASN CB −23.04 −25.49 47.22 15.00 159 ASN CG −22.27 −24.23 47.61 15.00 159 ASN OD1 −21.81 −24.09 48.74 15.00 159 ASN ND2 −22.14 −23.31 46.67 15.00 159 ASN C −23.55 −26.10 49.61 15.00 159 ASN O −24.20 −25.06 49.67 15.00 160 LEU N −23.38 −26.89 50.68 15.00 160 LEU CA −23.91 −26.47 51.98 15.00 160 LEU CB −23.83 −27.61 52.99 15.00 160 LEU CG −24.49 −28.94 52.62 15.00 160 LEU CD1 −24.41 −29.89 53.81 15.00 160 LEU CD2 −25.94 −28.71 52.23 15.00 160 LEU C −23.04 −25.30 52.41 15.00 160 LEU O −21.82 −25.42 52.46 15.00 161 ASN N −23.65 −24.15 52.70 15.00 161 ASN CA −22.86 −22.98 53.07 15.00 161 ASN CB −22.59 −22.13 51.83 15.00 161 ASN CG −23.82 −21.92 50.98 15.00 161 ASN OD1 −24.77 −21.24 51.38 15.00 161 ASN ND2 −23.83 −22.51 49.81 15.00 161 ASN C −23.40 −22.10 54.20 15.00 161 ASN O −22.80 −21.07 54.54 15.00 162 HIS N −24.47 −22.55 54.85 15.00 162 HIS CA −25.07 −21.78 55.92 15.00 162 HIS CB −26.12 −20.83 55.33 15.00 162 HIS CG −26.58 −19.75 56.27 15.00 162 HIS CD2 −27.81 −19.22 56.48 15.00 162 HIS ND1 −25.73 −19.08 57.12 15.00 162 HIS CE1 −26.41 −18.20 57.83 15.00 162 HIS NE2 −27.68 −18.27 57.46 15.00 162 HIS C −25.71 −22.76 56.91 15.00 162 HIS O −26.37 −23.71 56.50 15.00 163 ALA N −25.40 −22.58 58.19 15.00 163 ALA CA −25.96 −23.43 59.24 15.00 163 ALA CB −24.95 −23.66 60.35 15.00 163 ALA C −27.17 −22.65 59.74 15.00 163 ALA O −27.10 −21.42 59.92 15.00 164 VAL N −28.27 −23.34 59.96 15.00 164 VAL CA −29.51 −22.71 60.36 15.00 164 VAL CB −30.30 −22.38 59.08 15.00 164 VAL CG1 −31.28 −23.48 58.75 15.00 164 VAL CG2 −30.90 −20.99 59.15 15.00 164 VAL C −30.30 −23.60 61.34 15.00 164 VAL O −29.89 −24.73 61.62 15.00 165 LEU N −31.40 −23.09 61.89 15.00 165 LEU CA −32.18 −23.86 62.86 15.00 165 LEU CB −32.27 −23.11 64.20 15.00 165 LEU CG −32.79 −23.87 65.44 15.00 165 LEU CD1 −31.76 −24.89 65.90 15.00 165 LEU CD2 −33.13 −22.90 66.57 15.00 165 LEU C −33.58 −24.27 62.40 15.00 165 LEU O −34.39 −23.42 62.03 15.00 166 ALA N −33.85 −25.57 62.43 15.00 166 ALA CA −35.15 −26.11 62.05 15.00 166 ALA CB −35.00 −27.51 61.50 15.00 166 ALA C −35.99 −26.11 63.33 15.00 166 ALA O −35.76 −26.91 64.25 15.00 167 VAL N −36.94 −25.19 63.39 15.00 167 VAL CA −37.80 −25.06 64.55 15.00 167 VAL CB −37.81 −23.60 65.03 15.00 167 VAL CG1 −38.83 −22.75 64.24 15.00 167 VAL CG2 −38.06 −23.55 66.50 15.00 167 VAL C −39.23 −25.58 64.33 15.00 167 VAL O −40.15 −25.31 65.14 15.00 168 GLY N −39.44 −26.31 63.24 15.00 168 GLY CA −40.76 −26.84 62.97 15.00 168 GLY C −40.97 −27.25 61.53 15.00 168 GLY O −40.02 −27.37 60.74 15.00 169 TYR N −42.23 −27.48 61.20 15.00 169 TYR CA −42.67 −27.89 59.87 15.00 169 TYR CB −42.21 −29.33 59.54 15.00 169 TYR CC −42.75 −30.41 60.46 15.00 169 TYR CD1 −43.94 −31.09 60.16 15.00 169 TYR CE1 −44.43 −32.16 60.99 15.00 169 TYR CD2 −42.06 −30.79 61.61 15.00 169 TYR CE2 −42.53 −31.80 62.45 15.00 169 TYR CZ −43.71 −32.45 62.13 15.00 169 TYR OH −44.15 −33.47 62.94 15.00 169 TYR C −44.18 −27.80 59.84 15.00 169 TYR O −44.84 −27.82 60.88 15.00 170 GLY N −44.73 −27.73 58.64 15.00 170 GLY CA −46.17 −27.63 58.48 15.00 170 GLY C −46.53 −27.64 57.01 15.00 170 GLY O −45.73 −28.04 56.18 15.00 171 ILE N −47.71 −27.14 56.69 15.00 171 ILE CA −48.16 −27.09 55.30 15.00 171 ILE CB −48.95 −28.37 54.91 15.00 171 ILE CG2 −50.04 −28.69 55.91 15.00 171 ILE CG1 −49.52 −28.25 53.51 15.00 171 ILE CD1 −50.20 −29.53 53.05 15.00 171 ILE C −48.97 −25.82 55.09 15.00 171 ILE O −49.84 −25.48 55.89 15.00 172 GLN N −48.59 −25.07 54.05 15.00 172 GLN CA −49.21 −23.80 53.72 15.00 172 GLN CB −48.19 −22.67 53.89 15.00 172 GLN CG −48.68 −21.32 53.45 15.00 172 GLN CD −47.73 −20.20 53.84 15.00 172 GLN OE1 −47.84 −19.61 54.92 15.00 172 GLN NE2 −46.78 −19.89 52.96 15.00 172 GLN C −49.73 −23.81 52.29 15.00 172 GLN O −48.96 −23.96 51.33 15.00 173 LYS N −51.04 −23.64 52.17 15.00 173 LYS CA −51.73 −23.62 50.88 15.00 173 LYS CB −51.37 −22.35 50.09 15.00 173 LYS CG −51.48 −21.01 50.88 15.00 173 LYS CD −52.85 −20.77 51.55 15.00 173 LYS CE −54.02 −20.84 50.56 15.00 173 LYS NZ −53.89 −19.90 49.41 15.00 173 LYS C −51.39 −24.87 50.08 15.00 173 LYS O −51.27 −24.82 48.87 15.00 174 GLY N −51.22 −25.99 50.77 15.00 174 GLY CA −50.91 −27.24 50.10 15.00 174 GLY C −49.43 −27.58 50.06 15.00 174 GLY O −49.07 −28.71 49.74 15.00 175 ASN N −48.59 −26.65 50.48 15.00 175 ASN CA −47.15 −26.87 50.44 15.00 175 ASN CB −46.44 −25.64 49.88 15.00 175 ASN CG −47.06 −25.14 48.59 15.00 175 ASN OD1 −47.08 −25.86 47.58 15.00 175 ASN ND2 −47.56 −23.91 48.62 15.00 175 ASN C −46.54 −27.23 51.79 15.00 175 ASN O −46.63 −26.46 52.74 15.00 176 LYS N −45.92 −28.40 51.87 15.00 176 LYS CA −45.28 −28.84 53.09 15.00 176 LYS CB −44.98 −30.33 53.02 15.00 176 LYS CG −46.23 −31.18 52.84 15.00 176 LYS CD −45.95 −32.63 53.09 15.00 176 LYS CE −47.17 −33.48 52.82 15.00 176 LYS NZ −46.84 −34.93 52.78 15.00 176 LYS C −44.00 −28.03 53.20 15.00 176 LYS O −43.37 −27.73 52.19 15.00 177 HIS N −43.59 −27.69 54.42 15.00 177 HIS CA −42.39 −26.88 54.58 15.00 177 HIS CB −42.76 −25.39 54.51 15.00 177 HIS CG −43.62 −24.94 55.64 15.00 177 HIS CD2 −43.32 −24.68 56.94 15.00 177 HIS ND1 −44.96 −24.70 55.50 15.00 177 HIS CE1 −45.46 −24.31 56.66 15.00 177 HIS NE2 −44.48 −24.29 57.55 15.00 177 HIS C −41.68 −27.10 55.88 15.00 177 HIS O −42.20 −27.76 56.78 15.00 178 TRP N −40.52 −26.46 55.99 15.00 178 TRP CA −39.69 −26.51 57.18 15.00 178 TRP CB −38.24 −26.84 56.79 15.00 178 TRP CG −38.01 −28.23 56.31 15.00 178 TRP CD2 −38.14 −29.45 57.06 15.00 178 TRP CE2 −37.73 −30.50 56.22 15.00 178 TRP CE3 −38.56 −29.74 58.37 15.00 178 TRP CD1 −37.55 −28.59 55.07 15.00 178 TRP NE1 −37.38 −29.95 55.01 15.00 178 TRP CZ2 −37.73 −31.85 56.64 15.00 178 TRP CZ3 −38.56 −31.08 58.79 15.00 178 TRP CH2 −38.14 −32.12 57.92 15.00 178 TRP C −39.73 −25.11 57.74 15.00 178 TRP O −39.68 −24.14 56.97 15.00 179 ILE N −39.90 −24.97 59.05 15.00 179 ILE CA −39.91 −23.65 59.65 15.00 179 ILE CB −40.89 −23.55 60.84 15.00 179 ILE CG2 −40.95 −22.10 61.34 15.00 179 ILE CG1 −42.29 −24.02 60.43 15.00 179 ILE CD1 −43.32 −23.95 61.55 15.00 179 ILE C −38.47 −23.41 60.08 15.00 179 ILE O −37.96 −24.05 61.00 15.00 180 ILE N −37.79 −22.52 59.36 15.00 180 ILE CA −36.40 −22.23 59.61 15.00 180 ILE CB −35.58 −22.34 58.29 15.00 180 ILE CG2 −34.14 −21.97 58.52 15.00 180 ILE CG1 −35.74 −23.74 57.68 15.00 180 ILE CD1 −35.52 −24.88 58.66 15.00 180 ILE C −36.13 −20.88 60.25 15.00 180 ILE O −36.68 −19.85 59.84 15.00 181 LYS N −35.24 −20.90 61.25 15.00 181 LYS CA −34.84 −19.72 61.99 15.00 181 LYS CB −34.77 −20.06 63.48 15.00 181 LYS CG −34.66 −18.84 64.35 15.00 181 LYS CD −34.34 −19.17 65.79 15.00 181 LYS CE −34.16 −17.89 66.56 15.00 181 LYS NZ −33.69 −18.09 67.94 15.00 181 LYS C −33.46 −19.27 61.49 15.00 181 LYS O −32.50 −20.03 61.56 15.00 182 ASN N −33.37 −18.05 60.98 15.00 182 ASN CA −32.11 −17.52 60.47 15.00 182 ASN CB −32.33 −16.76 59.15 15.00 182 ASN CG −31.05 −16.64 58.29 15.00 182 ASN OD1 −30.00 −17.21 58.60 15.00 182 ASN ND2 −31.15 −15.91 57.18 15.00 182 ASN C −31.43 −16.62 61.51 15.00 182 ASN O −32.00 −16.33 62.57 15.00 183 SER N −30.18 −16.25 61.24 15.00 183 SER CA −29.43 −15.38 62.14 15.00 183 SER CB −28.25 −16.13 62.75 15.00 183 SER OG −27.48 −16.78 61.76 15.00 183 SER C −28.96 −14.09 61.44 15.00 183 SER O −27.85 −13.63 61.66 15.00 184 TRP N −29.82 −13.52 60.59 15.00 184 TRP CA −29.50 −12.28 59.88 15.00 184 TRP CB −29.69 −12.45 58.37 15.00 184 TRP CG −28.71 −13.44 57.76 15.00 184 TRP CD2 −28.74 −13.98 56.44 15.00 184 TRP CE2 −27.62 −14.83 56.30 15.00 184 TRP CE3 −29.60 −13.83 55.34 15.00 184 TRP CD1 −27.60 −13.98 58.37 15.00 184 TRP NE1 −26.95 −14.81 57.50 15.00 184 TRP CZ2 −27.34 −15.53 55.13 15.00 184 TRP CZ3 −29.33 −14.52 54.17 15.00 184 TRP CH2 −28.21 −15.35 54.07 15.00 184 TRP C −30.35 −11.11 60.40 15.00 184 TRP O −30.51 −10.09 59.72 15.00 185 GLY N −30.84 −11.25 61.63 15.00 185 GLY CA −31.67 −10.22 62.24 15.00 185 GLY C −33.14 −10.43 61.94 15.00 185 GLY O −33.49 −11.18 61.03 15.00 186 GLU N −33.99 −9.73 62.68 15.00 186 GLU CA −35.45 −9.83 62.50 15.00 186 GLU CB −36.17 −9.31 63.74 15.00 186 GLU CG −35.94 −10.14 64.97 15.00 186 GLU CD −37.15 −10.15 65.89 15.00 186 GLU OE1 −38.26 −10.52 65.41 15.00 186 GLU OE2 −37.01 −9.81 67.09 15.00 186 GLU C −36.05 −9.15 61.27 15.00 186 GLU O −37.10 −9.56 60.78 15.00 187 ASN N −35.38 −8.12 60.76 15.00 187 ASN CA −35.89 −7.42 59.59 15.00 187 ASN CB −35.32 −6.00 59.52 15.00 187 ASN CG −35.95 −5.04 60.53 15.00 187 ASN OD1 −35.82 −3.83 60.39 15.00 187 ASN ND2 −36.62 −5.58 61.56 15.00 187 ASN C −35.60 −8.14 58.29 15.00 187 ASN O −35.82 −7.57 57.22 15.00 188 TRP N −35.12 −9.38 58.37 15.00 188 TRP CA −34.81 −10.18 57.17 15.00 188 TRP CB −33.42 −10.84 57.28 15.00 188 TRP CG −33.16 −11.85 56.18 15.00 188 TRP CD2 −33.54 −13.23 56.17 15.00 188 TRP CE2 −33.19 −13.75 54.89 15.00 188 TRP CE3 −34.14 −14.09 57.10 15.00 188 TRP CD1 −32.60 −11.59 54.97 15.00 188 TRP NE1 −32.63 −12.73 54.18 15.00 188 TRP CZ2 −33.44 −15.08 54.52 15.00 188 TRP CZ3 −34.39 −15.42 56.74 15.00 188 TRP CH2 −34.03 −15.90 55.46 15.00 188 TRP C −35.88 −11.27 57.03 15.00 188 TRP O −36.45 −11.71 58.04 15.00 189 GLY N −36.14 −11.69 55.79 15.00 189 GLY CA −37.13 −12.72 55.53 15.00 189 GLY C −38.45 −12.40 56.21 15.00 189 GLY O −38.91 −11.26 56.15 15.00 190 ASN N −39.07 −13.38 56.85 15.00 190 ASN CA −40.33 −13.14 57.55 15.00 190 ASN CB −41.33 −14.27 57.29 15.00 190 ASN CG −42.74 −13.89 57.69 15.00 190 ASN OD1 −42.98 −12.88 58.35 15.00 190 ASN ND2 −43.69 −14.70 57.26 15.00 190 ASN C −40.03 −13.04 59.04 15.00 190 ASN O −40.09 −14.04 59.76 15.00 191 LYS N −39.68 −11.83 59.49 15.00 191 LYS CA −39.34 −11.59 60.90 15.00 191 LYS CB −40.57 −11.79 61.81 15.00 191 LYS CG −41.66 −10.76 61.63 15.00 191 LYS CD −42.98 −11.23 62.27 15.00 191 LYS CE −43.69 −12.29 61.41 15.00 191 LYS NZ −42.88 −13.54 61.16 15.00 191 LYS C −38.18 −12.50 61.33 15.00 191 LYS O −38.18 −13.07 62.44 15.00 192 GLY N −37.22 −12.67 60.43 15.00 192 GLY CA −36.06 −13.51 60.71 15.00 192 GLY C −36.27 −14.99 60.45 15.00 192 GLY O −35.41 −15.81 60.78 15.00 193 TYR N −37.40 −15.34 59.87 15.00 193 TYR CA −37.69 −16.74 59.58 15.00 193 TYR CB −38.93 −17.20 60.33 15.00 193 TYR CG −38.68 −17.49 61.78 15.00 193 TYR CD1 −38.81 −16.48 62.74 15.00 193 TYR CE1 −38.56 −16.73 64.09 15.00 193 TYR CD2 −38.31 −18.77 62.20 15.00 193 TYR CE2 −38.06 −19.03 63.55 15.00 193 TYR CZ −38.18 −18.01 64.48 15.00 193 TYR OH −37.91 −18.26 65.81 15.00 193 TYR C −37.92 −16.95 58.10 15.00 193 TYR O −38.22 −16.01 57.36 15.00 194 ILE N −37.81 −18.21 57.68 15.00 194 ILE CA −38.04 −18.60 56.31 15.00 194 ILE CB −36.73 −18.55 55.43 15.00 194 ILE CG2 −35.60 −19.33 56.09 15.00 194 ILE CG1 −37.01 −19.10 54.03 15.00 194 ILE CD1 −35.85 −18.96 53.07 15.00 194 ILE C −38.63 −20.00 56.30 15.00 194 ILE O −38.16 −20.88 57.01 15.00 195 LEU N −39.72 −20.18 55.55 15.00 195 LEU CA −40.34 −21.49 55.42 15.00 195 LEU CB −41.87 −21.37 55.28 15.00 195 LEU CG −42.73 −20.47 56.17 15.00 195 LEU CD1 −44.18 −20.60 55.73 15.00 195 LEU CD2 −42.58 −20.81 57.65 15.00 195 LEU C −39.76 −22.05 54.13 15.00 195 LEU O −39.93 −21.45 53.06 15.00 196 MET N −39.03 −23.15 54.22 15.00 196 MET CA −38.43 −23.75 53.02 15.00 196 MET CB −36.94 −24.02 53.26 15.00 196 MET CG −36.14 −22.77 53.55 15.00 196 MET SD −34.44 −23.13 54.06 15.00 196 MET CE −33.70 −23.51 52.45 15.00 196 NET C −39.16 −25.05 52.64 15.00 196 MET O −39.62 −25.77 53.52 15.00 197 ALA N −39.26 −25.34 51.35 15.00 197 ALA CA −39.95 −26.53 50.86 15.00 197 ALA CB −39.82 −26.63 49.36 15.00 197 ALA C −39.52 −27.84 51.52 15.00 197 ALA O −38.32 −28.08 51.73 15.00 198 ARG N −40.50 −28.68 51.85 15.00 198 ARG CA −40.27 −29.98 52.48 15.00 198 ARG CB −41.04 −30.07 53.81 15.00 198 ARG CG −41.06 −31.45 54.43 15.00 198 ARG CD −41.33 −31.38 55.94 15.00 198 ARG NE −42.61 −30.75 56.26 15.00 198 ARG CZ −43.75 −31.42 56.44 15.00 198 ARG NH1 −43.78 −32.74 56.32 15.00 198 ARG NH2 −44.87 −30.76 56.70 15.00 198 ARG C −40.73 −31.09 51.56 15.00 198 ARG O −41.79 −31.00 50.96 15.00 199 ASN N −39.95 −32.17 51.52 15.00 199 ASN CA −40.22 −33.33 50.68 15.00 199 ASN CB −41.58 −33.97 50.99 15.00 199 ASN CG −41.67 −34.52 52.39 15.00 199 ASN OD1 −40.69 −34.50 53.14 15.00 199 ASN ND2 −42.85 −34.99 52.77 15.00 199 ASN C −40.16 −32.94 49.21 15.00 199 ASN O −40.84 −33.53 48.36 15.00 200 LYS N −39.35 −31.93 48.91 15.00 200 LYS CA −39.21 −31.49 47.55 15.00 200 LYS CB −39.47 −29.99 47.43 15.00 200 LYS CG −40.30 −29.64 46.22 15.00 200 LYS CD −41.12 −28.37 46.46 15.00 200 LYS CE −42.16 −28.18 45.36 15.00 200 LYS NZ −41.56 −28.02 43.99 15.00 200 LYS C −37.78 −31.85 47.17 15.00 200 LYS O −36.94 −30.98 46.93 15.00 201 ASN N −37.51 −33.15 47.20 15.00 201 ASN CA −36.21 −33.69 46.86 15.00 201 ASN CB −35.94 −33.51 45.37 15.00 201 ASN CG −36.89 −34.30 44.52 15.00 201 ASN OD1 −37.20 −35.46 44.81 15.00 201 ASN ND2 −37.40 −33.66 43.47 15.00 201 ASN C −35.03 −33.16 47.67 15.00 201 ASN O −33.94 −32.96 47.11 15.00 202 ASN N −35.23 −33.00 48.98 15.00 202 ASN CA −34.18 −32.51 49.89 15.00 202 ASN CB −33.04 −33.54 49.99 15.00 202 ASN CG −32.05 −33.23 51.10 15.00 202 ASN OD1 −32.41 −32.67 52.14 15.00 202 ASN ND2 −30.79 −33.59 50.89 15.00 202 ASN C −33.66 −31.16 49.41 15.00 202 ASN O −32.46 −30.95 49.27 15.00 203 ALA N −34.57 −30.23 49.18 15.00 203 ALA H −35.42 −30.45 49.60 15.00 203 ALA CA −34.31 −28.90 48.63 15.00 203 ALA CB −35.55 −28.01 48.72 15.00 203 ALA C −33.20 −28.21 49.44 15.00 203 ALA O −33.27 −28.01 50.64 15.00 204 CYS N −32.19 −27.72 48.68 15.00 204 CYS CA −31.05 −26.98 49.22 15.00 204 CYS C −30.21 −27.75 50.22 15.00 204 CYS O −29.44 −27.14 50.97 15.00 204 CYS CB −31.51 −25.67 49.86 15.00 204 CYS SG −32.47 −24.53 48.82 15.00 205 GLY N −30.37 −29.07 50.27 15.00 205 GLY CA −29.60 −29.89 51.20 15.00 205 GLY C −30.01 −29.85 52.66 15.00 206 GLY O −29.23 −30.21 53.55 15.00 206 ILE N −31.27 −29.50 52.90 15.00 206 ILE CA −31.84 −29.38 54.25 15.00 206 ILE CB −33.38 −29.05 54.17 15.00 206 ILE CG2 −34.13 −30.21 53.53 15.00 206 ILE CG1 −33.94 −28.69 55.54 15.00 206 ILE CD1 −33.54 −27.31 56.02 15.00 206 ILE C −31.59 −30.57 55.19 15.00 206 ILE O −31.42 −30.39 56.40 15.00 207 ALA N −31.52 −31.77 54.64 15.00 207 ALA CA −31.27 −32.95 55.49 15.00 207 ALA CB −32.38 −33.99 55.31 15.00 207 ALA C −29.89 −33.58 55.26 15.00 207 ALA O −29.62 −34.70 55.70 15.00 208 ASN N −28.99 −32.84 54.62 15.00 208 ASN CA −27.66 −33.36 54.34 15.00 208 ASN CB −27.05 −32.65 53.13 15.00 208 ASN CG −27.49 −33.27 51.83 15.00 208 ASN OD1 −27.92 −34.43 51.79 15.00 208 ASN ND2 −27.39 −32.51 50.75 15.00 208 ASN C −26.67 −33.32 55.51 15.00 208 ASN O −25.80 −34.19 55.61 15.00 209 LEU N −26.82 −32.35 56.40 15.00 209 LEU CA −25.92 −32.20 57.53 15.00 209 LEU CB −24.79 −31.22 57.16 15.00 209 LEU CG −23.53 −31.18 58.02 15.00 209 LEU CD1 −22.72 −32.44 57.77 15.00 209 LEU CD2 −22.72 −29.93 57.68 15.00 209 LEU C −26.69 −31.68 58.75 15.00 209 LEU O −26.54 −30.52 59.15 15.00 210 ALA N −27.50 −32.55 59.34 15.00 210 ALA H −27.89 −32.98 58.56 15.00 210 ALA CA −28.32 −32.12 60.48 15.00 210 ALA CB −29.80 −32.37 60.21 15.00 210 ALA C −27.94 −32.94 61.72 15.00 210 ALA O −27.57 −34.09 61.63 15.00 211 SER N −28.10 −32.29 62.88 15.00 211 SER CA −27.80 −32.92 64.15 15.00 211 SER CB −26.28 −32.97 64.37 15.00 211 SER OG −25.71 −31.66 64.34 15.00 211 SER C −28.46 −32.19 65.33 15.00 211 SER O −29.01 −31.09 65.17 15.00 212 PHE N −28.43 −32.83 66.50 15.00 212 PHE CA −28.98 −32.24 67.71 15.00 212 PHE CB −30.46 −32.59 67.86 15.00 212 PHE CG −30.74 −34.06 67.93 15.00 212 PHE CD1 −31.03 −34.79 66.77 15.00 212 PHE CD2 −30.76 −34.72 69.16 15.00 212 PHE CE1 −31.34 −36.13 66.83 15.00 212 PHE CE2 −31.06 −36.08 69.22 15.00 212 PHE CZ −31.35 −36.79 68.05 15.00 212 PHE C −28.18 −32.66 68.96 15.00 212 PHE O −27.65 −33.77 69.03 15.00 213 PRO N −28.03 −31.76 69.92 15.00 213 PRO CD −28.51 −30.37 69.98 15.00 213 PRO CA −27.28 −32.11 71.13 15.00 213 PRO CB −27.07 −30.76 71.79 15.00 213 PRO CG −28.33 −30.03 71.43 15.00 213 PRO C −28.10 −33.03 72.01 15.00 213 PRO O −29.33 −33.00 71.95 15.00 214 LYS N −27.42 −33.86 72.80 15.00 214 LYS CA −28.08 −34.78 73.73 15.00 214 LYS CB −27.64 −36.23 73.50 15.00 214 LYS CG −27.92 −36.75 72.10 15.00 214 LYS CD −27.72 −38.26 72.00 15.00 214 LYS CE −26.29 −38.66 72.30 15.00 214 LYS NZ −26.00 −39.99 71.69 15.00 214 LYS C −27.60 −34.34 75.10 15.00 214 LYS O −26.43 −34.00 75.26 15.00 215 MET N −28.50 −34.30 76.07 15.00 215 MET CA −28.12 −33.90 77.42 15.00 215 MET CB −28.97 −32.72 77.89 15.00 215 MET CG −28.96 −31.51 76.95 15.00 215 MET SD −29.63 −30.02 77.75 15.00 215 MET CE −28.68 −28.69 76.95 15.00 215 MET C −28.26 −35.09 78.36 15.00 215 MET OT1 −27.93 −34.95 79.55 15.00 215 MET OT2 −28.65 −36.17 77.89 15.00 216 HOH OH2 −26.08 −16.55 83.97 15.00 217 HOH OH2 −20.53 −32.33 79.43 15.00 218 HOH OH2 −31.21 −16.22 65.49 15.00 219 HOH OH2 −30.95 −18.19 68.23 15.00 220 HOH OH2 −6.96 −10.59 69.84 15.00 221 HOH OH2 −15.23 −12.63 73.08 15.00 222 HOH OH2 −34.53 −23.51 69.96 15.00 223 HOH OH2 −13.78 −33.08 69.63 15.00 224 HOH OH2 −17.84 −17.71 57.57 15.00 225 HOH OH2 −24.92 −31.02 61.65 15.00 226 HOH OH2 −12.76 −8.21 61.82 15.00 227 HOH OH2 −14.16 −21.69 66.48 15.00 228 HOH OH2 −44.08 −26.87 48.48 15.00 229 HOH OH2 −44.49 −35.40 55.40 15.00 230 HOH OH2 −39.27 −16.80 68.54 15.00 231 HOH OH2 −24.12 −35.40 48.13 15.00 232 HOH OH2 −9.62 −25.46 63.42 15.00 233 HOH OH2 −46.02 −25.14 44.36 15.00 234 HOH OH2 −27.99 −19.44 61.96 15.00 235 HOH OH2 −22.10 −30.02 61.67 15.00 236 HOH OH2 −27.35 −15.73 71.93 15.00 237 HOH OH2 −29.19 −17.48 70.74 15.00 238 HOH OH2 −29.55 −22.69 83.52 15.00 239 HOH OH2 −35.73 −26.96 51.77 15.00 240 HOH OH2 −36.27 −24.64 49.31 15.00 241 HOH OH2 −46.67 −33.01 57.38 15.00 242 HOH OH2 −27.40 −10.90 68.66 15.00 243 HOH OH2 −42.01 −15.97 60.76 15.00 244 HOH OH2 −18.00 −3.18 62.85 15.00 245 HOH OH2 −33.49 −28.43 70.56 15.00 246 HOH OH2 −44.87 −25.33 75.86 15.00 247 HOH OH2 −17.32 −10.85 74.90 15.00 248 HOH OH2 −11.45 −17.84 66.51 15.00 249 HOH OH2 −11.56 −21.89 82.27 15.00 250 HOH OH2 −28.01 −35.21 58.24 15.00 251 HOH OH2 −35.05 −10.64 53.00 15.00 252 HOH OH2 −31.64 −28.63 46.10 15.00 253 HOH OH2 −35.04 −24.79 46.85 15.00 254 HOH OH2 −41.38 −35.11 55.81 15.00 255 HOH OH2 −40.44 −19.77 71.52 15.00 256 HOH OH2 −43.66 −16.34 65.70 15.00 257 HOH OH2 −39.00 −11.99 70.39 15.00 258 HOH OH2 −30.92 −9.07 66.51 15.00 259 HOH OH2 −32.51 −6.89 60.41 15.00 260 HOH OH2 −19.20 −8.29 62.91 15.00 261 HOH OH2 −33.67 −20.84 69.78 15.00 262 HOH OH2 −32.87 −44.92 73.87 15.00 263 HOH OH2 −13.20 −24.01 76.81 15.00 264 HOH OH2 −8.83 −25.26 60.26 15.00 265 HOH OH2 −17.23 −39.22 57.64 15.00 266 HOH OH2 −21.10 −32.62 61.09 15.00 267 HOH OH2 −24.50 −33.44 60.85 15.00 268 HOH OH2 −6.37 −28.13 76.25 15.00 269 HOH OH2 −10.20 −38.51 65.40 15.00 270 HOH OH2 −21.41 −37.76 78.27 15.00 271 HOH OH2 −22.56 −38.95 69.33 15.00 272 HOH OH2 −30.18 −25.13 93.77 15.00 273 HOH OH2 −12.08 −12.20 63.63 15.00 274 HOH OH2 −1.36 −9.62 67.96 15.00 275 HOH OH2 −28.39 −30.26 56.30 15.00 276 HOH OH2 −29.74 −20.19 48.42 15.00 277 HOH OH2 −26.12 −23.01 44.41 15.00 278 HOH OH2 −29.92 −34.21 47.42 15.00 279 HOH OH2 −26.24 −33.39 47.92 15.00 280 HOH OH2 −32.19 −28.29 42.42 15.00 281 HOH OH2 −37.49 −30.33 50.55 15.00

TABLE V Table of the orthogonal three dimensional coordinates in Ångstroms and B factors (Å²) for the cathepsin K complex with inhibitor (1S)-N-[2-[(1- benzyloxycarbonylamino)-3-methylbutyl]thiazol-4- ylcarbonyl]-N′-(N-benzyloxycarbonyl-L- leucinyl)hydrazide. Residue Atom X Y Z B 1 ALA CB −44.33 −37.20 63.83 15.00 1 ALA C −46.76 −36.62 63.83 15.00 1 ALA O −47.46 −36.94 62.86 15.00 1 ALA N −46.07 −38.96 63.89 15.00 1 ALA CA −45.70 −37.59 64.36 15.00 2 PRO N −46.94 −35.47 64.51 15.00 2 PRO CD −46.25 −35.02 65.74 15.00 2 PRO CA −47.93 −34.49 64.07 15.00 2 PRO CB −47.63 −33.28 64.97 15.00 2 PRO CG −47.15 −33.90 66.23 15.00 2 PRO C −47.63 −34.15 62.63 15.00 2 PRO O −46.50 −34.30 62.16 15.00 3 ASP N −48.65 −33.74 61.88 15.00 3 ASP CA −48.39 −33.36 60.52 15.00 3 ASP CB −49.60 −33.60 59.63 15.00 3 ASP CG −49.78 −35.10 59.29 15.00 3 ASP OD1 −50.65 −35.42 58.45 15.00 3 ASP OD2 −49.05 −35.95 59.86 15.00 3 ASP C −47.92 −31.92 60.51 15.00 3 ASP O −47.44 −31.42 59.49 15.00 4 SER N −47.94 −31.30 61.69 15.00 4 SER CA −47.55 −29.91 61.87 15.00 4 SER CB −48.70 −28.98 61.49 15.00 4 SER OG −48.42 −27.64 61.85 15.00 4 SER C −47.13 −29.61 63.29 15.00 4 SER O −47.79 −30.03 64.24 15.00 5 VAL N −46.04 −28.86 63.45 15.00 5 VAL CA −45.60 −28.47 64.78 15.00 5 VAL CB −44.86 −29.61 65.53 15.00 5 VAL CG1 −43.46 −29.81 64.97 15.00 5 VAL CG2 −44.83 −29.31 67.02 15.00 5 VAL C −44.78 −27.20 64.70 15.00 5 VAL O −44.00 −26.98 63.77 15.00 6 ASP N −44.98 −26.34 65.69 15.00 6 ASP CA −44.29 −25.07 65.76 15.00 6 ASP CB −45.27 −23.94 65.39 15.00 6 ASP CG −44.57 −22.65 65.00 15.00 6 ASP OD1 −43.38 −22.47 65.35 15.00 6 ASP OD2 −45.21 −21.81 64.33 15.00 6 ASP C −43.72 −24.87 67.16 15.00 6 ASP O −44.44 −24.51 68.10 15.00 7 TYR N −42.41 −25.07 67.29 15.00 7 TYR CA −41.75 −24.90 68.58 15.00 7 TYR CB −40.35 −25.51 68.57 15.00 7 TYR CG −40.39 −27.00 68.75 15.00 7 TYR CD1 −40.49 −27.57 70.02 15.00 7 TYR CE1 −40.58 −28.94 70.20 15.00 7 TYR CD2 −40.38 −27.87 67.65 15.00 7 TYR CE2 −40.47 −29.25 67.81 15.00 7 TYR CZ −40.57 −29.77 69.09 15.00 7 TYR OH −40.68 −31.13 69.28 15.00 7 TYR C −41.75 −23.46 69.08 15.00 7 TYR O −41.62 −23.22 70.29 15.00 8 ARG N −41.91 −22.51 68.17 15.00 8 ARG CA −41.98 −21.10 68.55 15.00 8 ARG CB −42.05 −20.19 67.33 15.00 8 ARG CG −40.91 −20.36 66.38 15.00 8 ARG CD −41.09 −19.45 65.19 15.00 8 ARG NE −42.20 −19.81 64.32 15.00 8 ARG CZ −42.56 −19.12 63.24 15.00 8 ARG NH1 −41.89 −18.03 62.89 15.00 8 ARG NH2 −43.63 −19.48 62.56 15.00 8 ARG C −43.22 −20.92 69.42 15.00 8 ARG O −43.17 −20.22 70.43 15.00 9 LYS N −44.31 −21.59 69.04 15.00 9 LYS CA −45.55 −21.53 69.81 15.00 9 LYS CB −46.77 −21.98 68.99 15.00 9 LYS CG −47.20 −21.00 67.88 15.00 9 LYS CD −48.52 −21.46 67.22 15.00 9 LYS CE −48.99 −20.55 66.08 15.00 9 LYS NZ −49.38 −19.15 66.49 15.00 9 LYS C −45.44 −22.32 71.13 15.00 9 LYS O −46.27 −22.17 72.02 15.00 10 LYS N −44.41 −23.16 71.23 15.00 10 LYS CA −44.17 −23.94 72.43 15.00 10 LYS CB −43.58 −25.32 72.11 15.00 10 LYS CG −44.58 −26.34 71.57 15.00 10 LYS CD −43.93 −27.72 71.47 15.00 10 LYS CE −44.97 −28.81 71.25 15.00 10 LYS NZ −45.93 −28.85 72.39 15.00 10 LYS C −43.25 −23.20 73.40 15.00 10 LYS O −43.06 −23.65 74.53 15.00 11 GLY N −42.67 −22.09 72.95 15.00 11 GLY CA −41.78 −21.32 73.79 15.00 11 GLY C −40.38 −21.91 73.87 15.00 11 GLY O −39.64 −21.67 74.83 15.00 12 TYR N −40.01 −22.66 72.84 15.00 12 TYR CA −38.71 −23.31 72.77 15.00 12 TYR CB −38.80 −24.65 72.05 15.00 12 TYR CG −39.27 −25.80 72.87 15.00 12 TYR CD1 −40.41 −25.71 73.66 15.00 12 TYR CE1 −40.84 −26.79 74.42 15.00 12 TYR CD2 −38.57 −27.00 72.85 15.00 12 TYR CE2 −38.99 −28.09 73.59 15.00 12 TYR CZ −40.12 −27.98 74.38 15.00 12 TYR OH −40.50 −29.07 75.14 15.00 12 TYR C −37.64 −22.48 72.08 15.00 12 TYR O −36.46 −22.81 72.16 15.00 13 VAL N −38.06 −21.44 71.37 15.00 13 VAL CA −37.14 −20.62 70.58 15.00 13 VAL CB −37.66 −20.50 69.13 15.00 13 VAL CG1 −36.66 −19.77 68.25 15.00 13 VAL CG2 −37.95 −21.87 68.56 15.00 13 VAL C −36.89 −19.23 71.14 15.00 13 VAL O −37.84 −18.50 71.45 15.00 14 THR N −35.63 −18.84 71.23 15.00 14 THR CA −35.31 −17.51 71.72 15.00 14 THR CB −33.91 −17.47 72.36 15.00 14 THR OG1 −32.93 −17.77 71.36 15.00 14 THR CG2 −33.80 −18.49 73.47 15.00 14 THR C −35.44 −16.50 70.56 15.00 14 THR O −35.63 −16.89 69.40 15.00 15 PRO N −35.41 −15.19 70.86 15.00 15 PRO CD −35.34 −14.54 72.18 15.00 15 PRO CA −35.53 −14.18 69.79 15.00 15 PRO CB −35.29 −12.87 70.53 15.00 15 PRO CG −35.87 −13.15 71.89 15.00 15 PRO C −34.52 −14.37 68.66 15.00 15 PRO O −33.50 −15.04 68.82 15.00 16 VAL N −34.82 −13.76 67.52 15.00 16 VAL CA −33.93 −13.83 66.37 15.00 16 VAL CB −34.62 −13.31 65.09 15.00 16 VAL CG1 −33.61 −13.11 63.98 15.00 16 VAL CG2 −35.68 −14.31 64.65 15.00 16 VAL C −32.68 −13.01 66.64 15.00 16 VAL O −32.76 −11.88 67.11 15.00 17 LYS N −31.52 −13.61 66.39 15.00 17 LYS CA −30.24 −12.96 66.58 15.00 17 LYS CB −29.25 −13.89 67.30 15.00 17 LYS CG −29.81 −14.64 68.50 15.00 17 LYS CD −30.24 −13.71 69.61 15.00 17 LYS CE −30.58 −14.46 70.88 15.09 17 LYS NZ −31.75 −15.34 70.73 15.00 17 LYS C −29.67 −12.53 65.23 15.00 17 LYS O −30.20 −12.88 64.17 15.00 18 ASN N −28.57 −11.79 65.27 15.00 18 ASN CA −27.90 −11.32 64.06 15.00 18 ASN CB −28.17 −9.84 63.80 15.00 18 ASN CG −27.66 −9.39 62.45 15.00 18 ASN OD1 −26.79 −10.02 61.85 15.00 18 ASN ND2 −28.20 −8.29 61.95 15.00 18 ASN C −26.41 −11.58 64.19 15.00 18 ASN O −25.74 −11.03 65.08 15.00 19 GLN N −25.89 −12.42 63.30 15.00 19 GLN CA −24.48 −12.75 63.31 15.00 19 GLN CB −24.20 −14.02 62.48 15.00 19 GLN CG −24.56 −13.94 61.00 15.00 19 GLN CD −24.28 −15.24 60.27 15.00 19 GLN OE1 −25.14 −15.79 59.60 15.00 19 GLN NE2 −23.06 −15.74 60.40 15.00 19 GLN C −23.59 −11.60 62.86 15.00 19 GLN O −22.43 −11.51 63.27 15.00 20 GLY N −24.12 −10.71 62.03 15.00 20 GLY CA −23.32 −9.59 61.55 15.00 20 GLY C −22.33 −10.05 60.49 15.00 20 GLY O −22.59 −11.03 59.78 15.00 21 GLN N −21.19 −9.38 60.40 15.00 21 GLN CA −20.18 −9.73 59.39 15.00 21 GLN CB −19.51 −8.48 58.81 15.00 21 GLN CG −20.42 −7.63 57.93 15.00 21 GLN CD −20.79 −8.33 56.62 15.00 21 GLN OE1 −20.02 −9.12 56.07 15.00 21 GLN NE2 −21.97 −8.02 56.11 15.00 21 GLN C −19.15 −10.71 59.95 15.00 21 GLN O −17.96 −10.40 60.02 15.00 22 CYS N −19.63 −11.88 60.34 15.00 22 CYS CA −18.79 −12.94 60.89 15.00 22 CYS C −19.49 −14.24 60.53 15.00 22 CYS O −20.71 −14.34 60.62 15.00 22 CYS CB −18.61 −12.78 62.41 15.00 22 CYS SG −18.03 −14.24 63.33 15.00 23 GLY N −18.73 −15.19 60.00 15.00 23 GLY CA −19.29 −16.48 59.66 15.00 23 GLY C −19.53 −17.35 60.89 15.00 23 GLY O −19.04 −18.48 60.98 15.00 24 SER N −20.36 −16.86 61.81 15.00 24 SER CA −20.67 −17.60 63.03 15.00 24 SER CB −20.61 −16.66 64.22 15.00 24 SER OG −21.35 −15.49 63.95 15.00 24 SER C −22.01 −18.36 62.96 15.00 24 SER O −22.58 −18.73 63.99 15.00 25 CYS N −22.50 −18.58 61.74 15.00 25 CYS CA −23.76 −19.28 61.52 15.00 25 CYS CB −23.98 −19.51 60.01 15.00 25 CYS SG −22.57 −20.30 59.15 15.00 25 CYS C −23.86 −20.58 62.32 15.00 25 CYS O −24.84 −20.82 63.02 15.00 25 INH C1 −28.50 −9.52 55.70 15.00 25 INH C2 −28.63 −9.33 57.08 15.00 25 INH C3 −27.56 −9.63 57.94 15.00 25 INH C4 −26.35 −10.11 57.43 15.00 25 INH C5 −26.23 −10.29 56.05 15.00 25 INH C6 −27.29 −10.00 55.19 15.00 25 INH C7 −25.20 −10.40 58.35 15.00 25 INH C8 −24.73 −11.77 58.36 15.00 25 INH C9 −24.03 −12.42 57.30 15.00 25 INH C10 −24.33 −12.23 56.10 15.00 25 INH C11 −22.27 −14.01 56.70 15.00 25 INH C12 −20.77 −13.63 56.80 15.00 25 INH C13 −20.18 −12.60 55.82 15.00 25 INH C14 −19.01 −11.83 56.47 15.00 25 INH C15 −21.22 −11.63 55.23 15.00 25 INH C16 −22.50 −15.59 56.80 15.00 25 INH S17 −23.78 −16.32 55.92 15.00 25 INH N18 −21.80 −16.55 57.50 15.00 25 INH C19 −22.21 −17.87 57.39 15.00 25 INH N20 −23.05 −13.25 57.68 15.00 25 INH C21 −23.27 −17.88 56.55 15.00 25 INH C22 −21.58 −19.10 58.24 15.00 25 INH O23 −21.37 −18.39 59.17 15.00 25 INH C24 −13.79 −23.51 54.96 15.00 25 INH C25 −14.23 −22.84 56.08 15.00 25 INH C26 −14.83 −23.54 57.12 15.00 25 INH C27 −15.00 −24.93 57.04 15.00 25 INH C28 −14.54 −25.60 55.91 15.00 25 INH C29 −13.94 −24.90 54.87 15.00 25 INH C30 −15.72 −25.67 58.14 15.00 25 INH O31 −17.10 −25.93 57.71 15.00 25 INH C32 −17.91 −25.03 56.96 15.00 25 INH O33 −17.69 −24.81 55.77 15.00 25 INH C34 −19.82 −23.49 57.00 15.00 25 INH C35 −21.22 −24.12 56.84 15.00 25 INH C36 −21.92 −24.89 57.97 15.00 25 INH C37 −21.43 −26.31 58.12 15.00 25 INH C38 −21.86 −24.15 59.29 15.00 25 INH C39 −19.87 −22.15 57.76 15.00 25 INH O40 −19.60 −22.13 58.96 15.00 25 INH N41 −20.18 −21.00 57.08 15.00 25 INH N42 −20.20 −19.65 57.78 15.00 25 INH N43 −18.90 −24.44 57.63 15.00 26 TRP N −22.80 −21.38 62.25 15.00 26 TRP CA −22.73 −22.65 62.97 15.00 26 TRP CB −21.39 −23.33 62.67 15.00 26 TRP CG −20.19 −22.46 62.98 15.00 26 TRP CD2 −19.41 −22.45 64.19 15.00 26 TRP CE2 −18.44 −21.44 64.05 15.00 26 TRP CE3 −19.43 −23.21 65.37 15.00 26 TRP CD1 −19.67 −21.48 62.19 15.00 26 TRP NE1 −18.62 −20.86 62.82 15.00 26 TRP CZ2 −17.50 −21.15 65.06 15.00 26 TRP CZ3 −18.50 −22.92 66.37 15.00 26 TRP CH2 −17.55 −21.91 66.21 15.00 26 TRP C −22.95 −22.50 64.49 15.00 26 TRP O −23.65 −23.30 65.10 15.00 27 ALA N −22.35 −21.46 65.08 15.00 27 ALA CA −22.45 −21.18 66.51 15.00 27 ALA CB −21.56 −20.02 66.89 15.00 27 ALA C −23.90 −20.90 66.88 15.00 27 ALA O −24.46 −21.56 67.74 15.00 28 PHE N −24.53 −19.94 66.19 15.00 28 PHE CA −25.93 −19.58 66.41 15.00 28 PHE CB −26.36 −18.44 65.48 15.00 28 PHE CG −25.83 −17.09 65.88 15.00 28 PHE CD1 −24.66 −16.59 65.32 15.00 28 PHE CD2 −26.48 −16.32 66.84 15.00 28 PHE CE1 −24.14 −15.37 65.71 15.00 28 PHE CE2 −25.97 −15.09 67.24 15.00 28 PHE CZ −24.80 −14.62 66.67 15.00 28 PHE C −26.87 −20.78 66.23 15.00 28 PHE O −27.85 −20.92 66.96 15.00 29 SER N −26.56 −21.64 65.26 15.00 29 SER CA −27.35 −22.83 64.99 15.00 29 SER CB −26.95 −23.45 63.64 15.00 29 SER OG −27.68 −24.63 63.36 15.00 29 SER C −27.21 −23.84 66.13 15.00 29 SER O −28.19 −24.49 66.50 15.00 30 SER N −26.01 −23.96 66.69 15.00 30 SER CA −25.73 −24.88 67.79 15.00 30 SER CB −24.23 −25.10 68.00 15.00 30 SER OG −23.60 −25.57 66.82 15.00 30 SER C −26.37 −24.39 69.09 15.00 30 SER O −26.95 −25.16 69.85 15.00 31 VAL N −26.23 −23.09 69.33 15.00 31 VAL CA −26.80 −22.45 70.51 15.00 31 VAL CB −26.39 −20.95 70.55 15.00 31 VAL CG1 −27.42 −20.12 71.24 15.00 31 VAL CG2 −25.07 −20.81 71.26 15.00 31 VAL C −28.31 −22.63 70.48 15.00 31 VAL O −28.91 −22.92 71.51 15.00 32 GLY N −28.89 −22.52 69.29 15.00 32 GLY CA −30.32 −22.68 69.11 15.00 32 GLY C −30.78 −24.09 69.45 15.00 32 GLY O −31.86 −24.28 69.99 15.00 33 ALA N −29.97 −25.08 69.09 15.00 33 ALA CA −30.29 −26.47 69.38 15.00 33 ALA CB −29.33 −27.39 68.65 15.00 33 ALA C −30.19 −26.70 70.89 15.00 33 ALA O −31.08 −27.30 71.50 15.00 34 LEU N −29.13 −26.18 71.50 15.00 34 LEU CA −28.93 −26.32 72.93 15.00 34 LEU CB −27.58 −25.75 73.35 15.00 34 LEU CG −26.31 −26.50 72.95 15.00 34 LEU CD1 −25.08 −25.64 73.21 15.00 34 LEU CD2 −26.24 −27.79 73.73 15.00 34 LEU C −30.07 −25.65 73.69 15.00 34 LEU O −30.59 −26.21 74.64 15.00 35 GLU N −30.47 −24.47 73.22 15.00 35 GLU CA −31.55 −23.70 73.82 15.00 35 GLU CB −31.77 −22.39 73.08 15.00 35 GLU CG −30.84 −21.28 73.54 15.00 35 GLU CD −30.76 −20.13 72.55 15.00 35 GLU OE1 −31.51 −20.14 71.54 15.00 35 GLU OE2 −29.93 −19.22 72.76 15.00 35 GLU C −32.86 −24.47 73.95 15.00 35 GLU O −33.52 −24.39 75.00 15.00 36 GLY N −33.21 −25.21 72.90 15.00 36 GLY CA −34.42 −26.00 72.90 15.00 36 GLY C −34.35 −27.13 73.91 15.00 36 GLY O −35.29 −27.37 74.66 15.00 37 GLN N −33.22 −27.82 73.95 15.00 37 GLN CA −33.04 −28.92 74.90 15.00 37 GLN CB −31.77 −29.71 74.56 15.00 37 GLN CG −31.84 −30.38 73.19 15.00 37 GLN CD −33.17 −31.11 72.97 15.00 37 GLN OE1 −33.60 −31.90 73.81 15.00 37 GLN NE2 −33.82 −30.83 71.85 15.00 37 GLN C −33.05 −28.41 76.35 15.00 37 GLN O −33.63 −29.04 77.23 15.00 38 LEU N −32.45 −27.24 76.57 15.00 38 LEU CA −32.42 −26.63 77.90 15.00 38 LEU CB −31.61 −25.34 77.89 15.00 38 LEU CG −31.50 −24.54 79.20 15.00 38 LEU CD1 −30.94 −25.41 80.34 15.00 38 LEU CD2 −30.60 −23.34 78.95 15.00 38 LEU C −33.85 −26.35 78.35 15.00 38 LEU O −34.22 −26.60 79.50 15.00 39 LYS N −34.66 −25.84 77.42 15.00 39 LYS CA −36.06 −25.56 77.68 15.00 39 LYS CB −36.71 −24.85 76.49 15.00 39 LYS CG −38.21 −24.62 76.62 15.00 39 LYS CD −38.52 −23.64 77.74 15.00 39 LYS CE −40.03 −23.47 77.92 15.00 39 LYS NZ −40.35 −22.39 78.91 15.00 39 LYS C −36.83 −26.83 78.04 15.00 39 LYS O −37.55 −26.89 79.04 15.00 40 LYS N −36.65 −27.87 77.23 15.00 40 LYS CA −37.33 −29.14 77.44 15.00 40 LYS CB −37.06 −30.09 76.28 15.00 40 LYS CG −37.54 −31.50 76.53 15.00 40 LYS CD −37.53 −32.32 75.26 15.00 40 LYS CE −38.47 −31.72 74.22 15.00 40 LYS NZ −38.75 −32.66 73.09 15.00 40 LYS C −37.01 −29.80 78.78 15.00 40 LYS O −37.92 −30.20 79.52 15.00 41 LYS N −35.73 −29.90 79.11 15.00 41 LYS CA −35.29 −30.52 80.36 15.00 41 LYS CB −33.84 −31.02 80.22 15.00 41 LYS CG −33.70 −32.50 79.87 15.00 41 LYS CD −34.49 −32.90 78.62 15.00 41 LYS CE −33.58 −33.12 77.41 15.00 41 LYS NZ −33.06 −31.85 76.83 15.00 41 LYS C −35.47 −29.73 81.68 15.00 41 LYS O −35.74 −30.32 82.73 15.00 42 THR N −35.28 −28.40 81.63 15.00 42 THR CA −35.41 −27.57 82.83 15.00 42 THR CB −34.17 −26.65 83.04 15.00 42 THR OG1 −34.20 −25.57 82.10 15.00 42 THR CG2 −32.87 −27.43 82.84 15.00 42 THR C −36.64 −26.66 82.82 15.00 42 THR O −37.07 −26.16 83.86 15.00 43 GLY N −37.17 −26.41 81.63 15.00 43 GLY CA −38.33 −25.55 81.52 15.00 43 GLY C −37.93 −24.10 81.41 15.00 43 GLY O −38.78 −23.23 81.26 15.00 44 LYS N −36.63 −23.82 81.53 15.00 44 LYS CA −36.11 −22.46 81.41 15.00 44 LYS CB −34.91 −22.24 82.33 15.00 44 LYS CG −35.25 −22.15 83.79 15.00 44 LYS CD −34.06 −21.63 84.59 15.00 44 LYS CE −33.69 −20.18 84.17 15.00 44 LYS NZ −32.77 −19.50 85.16 15.00 44 LYS C −35.72 −22.17 79.96 15.00 44 LYS O −35.24 −23.05 79.25 15.00 45 LEU N −35.91 −20.93 79.54 15.00 45 LEU CA −35.56 −20.52 78.19 15.00 45 LEU CB −36.80 −20.28 77.31 15.00 45 LEU CG −36.49 −19.86 75.87 15.00 45 LEU CD1 −36.01 −21.07 75.08 15.00 45 LEU CD2 −37.69 −19.23 75.17 15.00 45 LEU C −34.71 −19.26 78.25 15.00 45 LEU O −35.22 −18.17 78.53 15.00 46 LEU N −33.41 −19.42 78.02 15.00 46 LEU CA −32.50 −18.29 78.00 15.00 46 LEU CB −31.75 −18.14 79.35 15.00 46 LEU CG −31.05 −19.27 80.11 15.00 46 LEU CD1 −32.04 −20.12 80.86 15.00 46 LEU CD2 −30.23 −20.09 79.17 15.00 46 LEU C −31.54 −18.34 76.80 15.00 46 LEU O −31.41 −19.37 76.14 15.00 47 ASN N −30.93 −17.20 76.48 15.00 47 ASN CA −30.00 −17.12 75.36 15.00 47 ASN CB −29.88 −15.69 74.84 15.00 47 ASN CG −31.21 −15.12 74.46 15.00 47 ASN OD1 −31.91 −15.66 73.60 15.00 47 ASN ND2 −31.59 −14.04 75.11 15.00 47 ASN C −28.64 −17.64 75.75 15.00 47 ASN O −28.10 −17.24 76.78 15.00 48 LEU N −28.12 −18.56 74.94 15.00 48 LEU CA −26.82 −19.15 75.18 15.00 48 LEU CB −26.80 −20.63 74.80 15.00 48 LEU CG −27.73 −21.45 75.71 15.00 48 LEU CD1 −27.55 −22.93 75.44 15.00 48 LEU CD2 −27.44 −21.15 77.17 15.00 48 LEU C −25.73 −18.36 74.47 15.00 48 LEU O −26.04 −17.44 73.71 15.00 49 SER N −24.48 −18.72 74.69 15.00 49 SER CA −23.36 −18.00 74.12 15.00 49 SER CB −22.27 −17.78 75.18 15.00 49 SER OG −21.19 −17.01 74.69 15.00 49 SER C −22.73 −18.50 72.83 15.00 49 SER O −21.93 −19.43 72.84 15.00 50 PRO N −23.07 −17.87 71.68 15.00 50 PRO CD −24.14 −16.88 71.44 15.00 50 PRO CA −22.47 −18.30 70.42 15.00 50 PRO CB −23.33 −17.58 69.36 15.00 50 PRO CG −23.81 −16.35 70.07 15.00 50 PRO C −21.00 −17.83 70.39 15.00 50 PRO O −20.15 −18.48 69.77 15.00 51 GLN N −20.70 −16.73 71.10 15.00 51 GLN CA −19.34 −16.18 71.19 15.00 51 GLN CB −19.35 −14.78 71.82 15.00 51 GLN CG −18.06 −13.96 71.66 15.00 51 GLN CD −17.76 −13.49 70.22 15.00 51 GLN OE1 −18.60 −12.89 69.54 15.00 51 GLN NE2 −16.54 −13.74 69.77 15.00 51 GLN C −18.42 −17.16 71.95 15.00 51 GLN O −17.25 −17.33 71.59 15.00 52 ASN N −18.98 −17.86 72.94 15.00 52 ASN CA −18.23 −18.85 73.70 15.00 52 ASN CB −19.14 −19.54 74.73 15.00 52 ASN CG −18.40 −20.50 75.66 15.00 52 ASN OD1 −18.99 −21.02 76.61 15.00 52 ASN ND2 −17.11 −20.73 75.41 15.00 52 ASN C −17.68 −19.86 72.70 15.00 52 ASN O −16.50 −20.21 72.73 15.00 53 LEU N −18.55 −20.28 71.78 15.00 53 LEU CA −1B.19 −21.24 70.74 15.00 53 LEU CB −19.44 −21.79 70.06 15.00 53 LEU CG −20.11 −23.02 70.67 15.00 53 LEU CD1 −20.05 −22.96 72.19 15.00 53 LEU CD2 −21.55 −23.11 70.17 15.00 53 LEU C −17.21 −20.66 69.72 15.00 53 LEU O −16.19 −21.29 69.42 15.00 54 VAL N −17.51 −19.46 69.21 15.00 54 VAL CA −16.65 −18.82 68.22 15.00 54 VAL CB −17.16 −17.39 67.85 15.00 54 VAL CG1 −16.22 −16.73 66.85 15.00 54 VAL CG2 −18.56 −17.47 67.25 15.00 54 VAL C −15.19 −18.75 68.68 15.00 54 VAL O −14.28 −19.13 67.94 15.00 55 ASP N −14.99 −18.33 69.93 15.00 55 ASP CA −13.65 −18.18 70.52 15.00 55 ASP CB −13.64 −17.12 71.64 15.00 55 ASP CG −14.11 −15.73 71.18 15.00 55 ASP OD1 −14.12 −15.43 69.96 15.00 55 ASP OD2 −14.46 −14.93 72.06 15.00 55 ASP C −12.98 −19.44 71.08 15.00 55 ASP O −11.75 −19.53 71.15 15.00 56 CYS N −13.79 −20.43 71.47 15.00 56 CYS CA −13.26 −21.63 72.12 15.00 56 CYS C −13.13 −22.97 71.41 15.00 56 CYS O −12.36 −23.82 71.86 15.00 56 CYS CB −13.97 −21.81 73.45 15.00 56 CYS SG −13.91 −20.34 74.55 15.00 57 VAL N −13.92 −23.20 70.36 15.00 57 VAL CA −13.85 −24.48 69.64 15.00 57 VAL CB −15.13 −24.77 68.83 15.00 57 VAL CG1 −15.08 −26.20 68.30 15.00 57 VAL CG2 −16.37 −24.52 69.66 15.00 57 VAL C −12.67 −24.45 68.68 15.00 57 VAL O −12.73 −23.82 67.62 15.00 58 SER N −11.60 −25.15 69.04 15.00 58 SER CA −10.40 −25.18 68.22 15.00 58 SER CB −9.19 −25.66 69.02 15.00 58 SER OG −9.56 −26.66 69.95 15.00 58 SER C −10.54 −25.93 66.91 15.00 58 SER O −9.71 −25.75 66.02 15.00 59 GLU N −11.56 −26.78 66.79 15.00 59 GLU CA −11.79 −27.55 65.57 15.00 59 GLU CB −12.53 −28.86 65.84 15.00 59 GLU CG −11.72 −29.95 66.56 15.00 59 GLU CD −11.47 −29.63 68.03 15.00 59 GLU OE1 −12.44 −29.48 68.79 15.00 59 GLU OE2 −10.28 −29.54 68.42 15.00 59 GLU C −12.51 −26.74 64.50 15.00 59 GLU O −12.45 −27.06 63.32 15.00 60 ASN N −13.22 −25.69 64.92 15.00 60 ASN CA −13.91 −24.83 63.98 15.00 60 ASN CB −15.29 −24.45 64.49 15.00 60 ASN CG −16.25 −25.62 64.51 15.00 60 ASN OD1 −17.17 −25.66 65.32 15.00 60 ASN ND2 −16.04 −26.59 63.62 15.00 60 ASN C −13.03 −23.63 63.72 15.00 60 ASN O −12.01 −23.46 64.39 15.00 61 ASP N −13.39 −22.81 62.74 15.00 61 ASP CA −12.56 −21.66 62.39 15.00 61 ASP CB −12.27 −21.64 60.88 15.00 61 ASP CG −11.96 −23.05 60.30 15.00 61 ASP OD1 −12.89 −23.70 59.76 15.00 61 ASP OD2 −10.78 −23.50 60.37 15.00 61 ASP C −13.12 −20.30 62.86 15.00 61 ASP O −12.75 −19.26 62.32 15.00 62 GLY N −13.97 −20.31 63.88 15.00 62 GLY CA −14.54 −19.06 64.36 15.00 62 GLY C −15.40 −18.39 63.30 15.00 62 GLY O −16.41 −18.95 62.84 15.00 63 CYS N −15.00 −17.18 62.90 15.00 63 CYS CA −15.71 −16.43 61.88 15.00 63 CYS C −15.44 −16.96 60.47 15.00 63 CYS O −16.00 −16.47 59.49 15.00 63 CYS CB −15.39 −14.94 61.97 15.00 63 CYS SG −16.00 −14.06 63.45 15.00 64 GLY N −14.57 −17.97 60.38 15.00 64 GLY CA −14.27 −18.57 59.09 15.00 64 GLY C −15.01 −19.88 58.84 15.00 64 GLY O −14.59 −20.68 58.01 15.00 65 GLY N −16.09 −20.12 59.59 15.00 65 GLY CA −16.86 −21.34 59.42 15.00 65 GLY C −16.66 −22.39 60.49 15.00 65 GLY O −15.77 −22.30 61.34 15.00 66 GLY N −17.52 −23.40 60.46 15.00 66 GLY CA −17.44 −24.49 61.42 15.00 66 GLY C −18.61 −25.44 61.32 15.00 66 GLY O −19.49 −25.27 60.48 15.00 67 TYR N −18.62 −26.44 62.18 15.00 67 TYR CA −19.68 −27.44 62.21 15.00 67 TYR CB −19.14 −28.83 61.87 15.00 67 TYR CG −18.68 −28.95 60.44 15.00 67 TYR CD1 −19.58 −29.32 59.44 15.00 67 TYR CE1 −19.18 −29.39 58.11 15.00 67 TYR CD2 −17.37 −28.64 60.07 15.00 67 TYR CE2 −16.96 −28.70 58.75 15.00 67 TYR CZ −17.88 −29.07 57.77 15.00 67 TYR OH −17.50 −29.10 56.45 15.00 67 TYR C −20.36 −27.48 63.56 15.00 67 TYR O −19.71 −27.30 64.59 15.00 68 MET N −21.65 −27.77 63.56 15.00 68 MET CA −22.44 −27.85 64.78 15.00 68 MET CB −23.93 −28.03 64.44 15.00 68 MET CG −24.58 −26.86 63.66 15.00 68 MET SD −24.01 −26.58 61.93 15.00 68 MET CE −25.23 −27.50 61.01 15.00 68 MET C −21.91 −28.98 65.68 15.00 68 MET O −21.68 −28.77 66.87 15.00 69 THR N −21.68 −30.16 65.08 15.00 69 THR CA −21.17 −31.32 65.81 15.00 69 THR CB −20.89 −32.54 64.87 15.00 69 THR OG1 −20.07 −32.14 63.76 15.00 69 THR CG2 −22.20 −33.12 64.35 15.00 69 THR C −19.91 −31.01 66.64 15.00 69 THR O −19.80 −31.46 67.78 15.00 70 ASN N −18.97 −30.25 66.06 15.00 70 ASN CA −17.74 −29.87 66.77 15.00 70 ASN CB −16.76 −29.07 65.89 15.00 70 ASN CG −16.17 −29.89 64.75 15.00 70 ASN OD1 −15.66 −29.34 63.79 15.00 70 ASN ND2 −16.25 −31.20 64.86 15.00 70 ASN C −18.11 −29.01 67.98 15.00 70 ASN O −17.57 −29.19 69.08 15.00 71 ALA N −19.02 −28.07 67.74 15.00 71 ALA CA −19.50 −27.16 68.77 15.00 71 ALA CB −20.44 −26.11 68.16 15.00 71 ALA C −20.20 −27.92 69.91 15.00 71 ALA O −20.03 −27.59 71.08 15.00 72 PHE N −20.95 −28.97 69.56 15.00 72 PHE CA −21.63 −29.82 70.54 15.00 72 PHE CB −22.65 −30.75 69.86 15.00 72 PHE CG −23.80 −30.02 69.25 15.00 72 PHE CD1 −24.32 −28.88 69.86 15.00 72 PHE CD2 −24.37 −30.48 68.08 15.00 72 PHE CE1 −25.40 −28.21 69.30 15.00 72 PHE CE2 −25.46 −29.81 67.51 15.00 72 PHE CZ −25.97 −28.67 68.13 15.00 72 PHE C −20.64 −30.63 71.36 15.00 72 PHE O −20.69 −30.66 72.59 15.00 73 GLN N −19.71 −31.27 70.67 15.00 73 GLN CA −18.70 −32.08 71.33 15.00 73 GLN CB −17.83 −32.79 70.31 15.00 73 GLN CG −16.90 −33.82 70.92 15.00 73 GLN CD −16.28 −34.73 69.87 15.00 73 GLN OE1 −16.83 −34.92 68.78 15.00 73 GLN NE2 −15.14 −35.30 70.20 15.00 73 GLN C −17.87 −31.21 72.25 15.00 73 GLN O −17.49 −31.64 73.33 15.00 74 TYR N −17.60 −29.98 71.82 15.00 74 TYR CA −16.83 −29.03 72.62 15.00 74 TYR CB −16.61 −27.69 71.89 15.00 74 TYR CG −16.39 −26.51 72.83 15.00 74 TYR CD1 −15.18 −26.35 73.51 15.00 74 TYR CE1 −15.02 −25.35 74.47 15.00 74 TYR CD2 −17.43 −25.63 73.12 15.00 74 TYR CE2 −17.28 −24.64 74.08 15.00 74 TYR CZ −16.08 −24.50 74.75 15.00 74 TYR OH −15.96 −23.57 75.75 15.00 74 TYR C −17.55 −28.79 73.94 15.00 74 TYR O −16.92 −28.75 75.00 15.00 75 VAL N −18.87 −28.62 73.86 15.00 75 VAL CA −19.70 −28.36 75.04 15.00 75 VAL CB −21.11 −27.88 74.63 15.00 75 VAL CG1 −21.96 −27.66 75.85 15.00 75 VAL CG2 −21.00 −26.57 73.83 15.00 75 VAL C −19.77 −29.55 75.98 15.00 75 VAL O −19.91 −29.38 77.19 15.00 76 GLN N −19.66 −30.74 75.42 15.00 76 GLN CA −19.66 −31.95 76.22 15.00 76 GLN CB −19.84 −33.21 75.36 15.00 76 GLN CG −19.80 −34.51 76.14 15.00 76 GLN CD −19.78 −35.75 75.25 15.00 76 GLN OE1 −19.34 −35.70 74.09 15.00 76 GLN NE2 −20.24 −36.86 75.79 15.00 76 GLN C −18.34 −32.00 77.00 15.00 76 GLN O −18.34 −32.09 78.22 15.00 77 LYS N −17.22 −31.90 76.29 15.00 77 LYS CA −15.89 −31.95 76.91 15.00 77 LYS CB −14.79 −32.01 75.85 15.00 77 LYS CG −14.77 −33.29 75.01 15.00 77 LYS CD −13.80 −33.14 73.84 15.00 77 LYS CE −13.62 −34.44 73.09 15.00 77 LYS NZ −12.55 −34.33 72.06 15.00 77 LYS C −15.63 −30.80 77.87 15.00 77 LYS O −14.99 −30.98 78.91 15.00 78 ASN N −16.09 −29.61 77.50 15.00 78 ASN CA −15.91 −28.43 78.32 15.00 78 ASN CB −16.18 −27.16 77.51 15.00 78 ASN CG −15.95 −25.89 78.31 15.00 78 ASN OD1 −14.90 −25.69 78.92 15.00 78 ASN ND2 −16.93 −24.99 78.28 15.00 78 ASN C −16.83 −28.52 79.52 15.00 78 ASN O −16.64 −27.81 80.49 15.00 79 ARG N −17.81 −29.42 79.44 15.00 79 ARG CA −18.82 −29.64 80.47 15.00 79 ARG CB −18.19 −30.06 81.81 15.00 79 ARG CG −17.69 −31.48 81.85 15.00 79 ARG CD −16.75 −31.70 83.00 15.00 79 ARG NE −16.07 −32.98 82.88 15.00 79 ARG CZ −14.79 −33.13 82.56 15.00 79 ARG NH1 −14.02 −32.08 82.33 15.00 79 ARG NH2 −14.28 −34.36 82.41 15.00 79 ARG C −19.77 −28.45 80.65 15.00 79 ARG O −20.43 −28.32 81.69 15.00 80 GLY N −19.84 −27.58 79.66 15.00 80 GLY CA −20.72 −26.45 79.77 15.00 80 GLY C −20.50 −25.38 78.73 15.00 80 GLY O −19.60 −25.49 77.89 15.00 81 ILE N −21.38 −24.39 78.75 15.00 81 ILE CA −21.34 −23.24 77.85 15.00 81 ILE CB −22.12 −23.47 76.52 15.00 81 ILE CG2 −23.54 −24.00 76.80 15.00 81 ILE CG1 −22.15 −22.16 75.71 15.00 81 ILE CD1 −22.81 −22.28 74.36 15.00 81 ILE C −21.98 −22.09 78.60 15.00 81 ILE O −23.00 −22.26 79.29 15.00 82 ASP N −21.37 −20.92 78.48 15.00 82 ASP CA −21.88 −19.75 79.15 15.00 82 ASP CB −20.83 −18.66 79.19 15.00 82 ASP CG −19.68 −19.00 80.10 15.00 82 ASP OD1 −18.57 −18.52 79.85 15.00 82 ASP OD2 −19.91 −19.76 81.07 15.00 82 ASP C −23.17 −19.21 78.57 15.00 82 ASP O −23.56 −19.54 77.45 15.00 83 SER N −23.85 −18.42 79.39 15.00 83 SER CA −25.09 −17.77 79.00 15.00 83 SER CB −25.89 −17.34 80.22 15.00 83 SER OG −25.29 −16.22 80.86 15.00 83 SER C −24.70 −16.56 78.16 15.00 83 SER O −23.58 −16.04 78.30 15.00 84 GLU N −25.59 −16.10 77.30 15.00 84 GLU CA −25.30 −14.93 76.49 15.00 84 GLU CB −26.55 −14.46 75.73 15.00 84 GLU CG −26.40 −13.12 75.04 15.00 84 GLU CD −25.37 −13.12 73.92 15.00 84 GLU OE1 −24.73 −12.07 73.72 15.00 84 GLU OE2 −25.20 −14.15 73.23 15.00 84 GLU C −24.74 −13.81 77.37 15.00 84 GLU O −23.72 −13.20 77.06 15.00 85 ASP N −25.37 −13.60 78.53 15.00 85 ASP CA −24.94 −12.54 79.44 15.00 85 ASP CB −25.85 −12.44 80.66 15.00 85 ASP CG −27.22 −11.88 80.32 15.00 85 ASP OD1 −28.19 −12.27 81.01 15.00 85 ASP OD2 −27.33 −11.06 79.37 15.00 85 ASP C −23.49 −12.60 79.87 15.00 85 ASP O −22.78 −11.59 79.79 15.00 86 ALA N −23.05 −13.79 80.28 15.00 86 ALA CA −21.67 −14.00 80.73 15.00 86 ALA CB −21.59 −15.24 81.59 15.00 86 ALA C −20.61 −14.06 79.62 15.00 86 ALA O −19.42 −14.18 79.92 15.00 87 TYR N −21.04 −13.98 78.36 15.00 87 TYR CA −20.13 −14.04 77.22 15.00 87 TYR CB −19.69 −15.50 76.99 15.00 87 TYR CG −18.30 −15.71 76.41 15.00 87 TYR CD1 −17.79 −14.89 75.41 15.00 87 TYR CE1 −16.54 −15.12 74.86 15.00 87 TYR CD2 −17.51 −16.78 76.84 15.00 87 TYR CE2 −16.26 −17.02 76.29 15.00 87 TYR CZ −15.78 −16.18 75.30 15.00 87 TYR OH −14.54 −16.42 74.76 15.00 87 TYR C −20.88 −13.46 76.00 15.00 87 TYR O −21.14 −14.15 75.02 15.00 88 PRO N −21.17 −12.14 76.05 15.00 88 PRO CD −20.72 −11.16 77.06 15.00 88 PRO CA −21.90 −11.45 74.97 15.00 88 PRO CB −21.94 −9.99 75.46 15.00 88 PRO CG −20.72 −9.87 76.27 15.00 88 PRO C −21.30 −11.57 73.58 15.00 88 PRO O −20.11 −11.80 73.42 15.00 89 TYR N −22.15 −11.39 72.58 15.00 89 TYR CA −21.74 −11.48 71.18 15.00 89 TYR CB −22.93 −11.78 70.27 15.00 89 TYR CG −22.53 −12.08 68.84 15.00 89 TYR CD1 −21.82 −13.23 68.54 15.00 89 TYR CE1 −21.40 −13.50 67.25 15.00 89 TYR CD2 −22.83 −11.20 67.81 15.00 89 TYR CE2 −22.40 −11.46 66.50 15.00 89 TYR CZ −21.69 −12.62 66.24 15.00 89 TYR OH −21.23 −12.90 64.98 15.00 89 TYR C −21.04 −10.21 70.71 15.00 89 TYR O −21.54 −9.11 70.94 15.00 90 VAL N −19.88 −10.36 70.08 15.00 90 VAL CA −19.15 −9.21 69.55 15.00 90 VAL CB −17.81 −8.94 70.27 15.00 90 VAL CG1 −18.06 −8.15 71.55 15.00 90 VAL CG2 −17.08 −10.23 70.56 15.00 90 VAL C −18.92 −9.31 68.05 15.00 90 VAL O −18.60 −8.32 67.40 15.00 91 GLY N −19.08 −10.51 67.50 15.00 91 GLY CA −18.90 −10.68 66.06 15.00 91 GLY C −17.46 −10.67 65.56 15.00 91 GLY O −17.19 −10.28 64.42 15.00 92 GLN N −16.54 −11.10 66.41 15.00 92 GLN CA −15.14 −11.17 66.04 15.00 92 GLN CB −14.46 −9.80 66.11 15.00 92 GLN CG −14.41 −9.16 67.49 15.00 92 GLN CD −14.16 −7.65 67.45 15.00 92 GLN OE1 −14.60 −6.91 68.33 15.00 92 GLN NE2 −13.46 −7.18 66.42 15.00 92 GLN C −14.45 −12.22 66.92 15.00 92 GLN O −14.82 −12.42 68.07 15.00 93 GLU N −13.51 −12.94 66.32 15.00 93 GLU CA −12.75 −13.98 66.99 15.00 93 GLU CB −11.92 −14.80 65.98 15.00 93 GLU CG −12.60 −15.10 64.64 15.00 93 GLU CD −11.66 −15.74 63.60 15.00 93 GLU OE1 −10.42 −15.60 63.72 15.00 93 GLU OE2 −12.17 −16.37 62.65 15.00 93 GLU C −11.83 −13.34 68.03 15.00 93 GLU O −11.21 −12.30 67.75 15.00 94 GLU N −11.73 −13.97 69.20 15.00 94 GLU CA −10.88 −13.49 70.30 15.00 94 GLU CB −11.58 −12.42 71.15 45.00 94 GLU CG −11.71 −11.07 70.44 15.00 94 GLU CD −12.53 −10.04 71.21 15.00 94 GLU OE1 −13.43 −10.42 71.98 15.00 94 GLU OE2 −12.26 −8.84 71.02 15.00 94 GLU C −10.47 −14.70 71.15 15.00 94 GLU O −10.92 −15.82 70.89 15.00 95 SER N −9.61 −14.49 72.13 15.00 95 SER CA −9.17 −15.58 72.99 15.00 95 SER CB −7.98 −15.16 73.87 15.00 95 SER OG −8.29 −14.05 74.70 15.00 95 SER C −10.29 −16.20 73.83 15.00 95 SER O −11.16 −15.50 74.36 15.00 96 CYS N −10.27 −17.53 73.93 15.00 96 CYS CA −11.26 −18.23 74.72 15.00 96 CYS C −11.28 −17.62 76.13 15.00 96 CYS O −10.26 −17.58 76.83 15.00 96 CYS CB −10.97 −19.73 74.75 15.00 96 CYS SG −12.23 −20.69 75.64 15.00 97 MET N −12.44 −17.08 76.50 15.00 97 MET CA −12.64 −16.44 77.80 15.00 97 MET CB −12.80 −14.93 77.61 15.00 97 MET CG −12.60 −14.11 78.87 15.00 97 MET SD −10.92 −14.28 79.50 15.00 97 MET CE −10.06 −13;18 78.42 15.00 97 MET C −13.84 −17.05 78.53 15.00 97 MET O −14.64 −16.34 79.14 15.00 98 TYR N −13.96 −18.37 78.44 15.00 98 TYR CA −15.04 −19.09 79.10 15.00 98 TYR CB −15.03 −20.57 78.73 15.00 98 TYR CG −15.99 −21.40 79.55 15.00 98 TYR CD1 −17.36 −21.36 79.31 15.00 98 TYR CE1 −18.25 −22.09 80.09 15.00 98 TYR CD2 −15.53 −22.21 80.59 15.00 98 TYR CE2 −16.41 −22.95 81.38 15.00 98 TYR CZ −17.77 −22.88 81.13 15.00 98 TYR OH −18.64 −23.57 81.93 15.00 98 TYR C −15.01 −18.91 80.61 15.00 98 TYR O −14.00 −19.18 81.26 15.00 99 ASN N −16.12 −18.44 81.16 15.00 99 ASN CA −16.24 −18.23 82.58 15.00 99 ASN CB −16.80 −16.84 82.89 15.00 99 ASN CG −16.73 −16.50 84.38 15.00 99 ASN OD1 −16.91 −17.36 85.24 15.00 99 ASN ND2 −16.44 −15.25 84.68 15.00 99 ASN C −17.14 −19.31 83.15 15.00 99 ASN O −18.33 −19.37 82.85 15.00 100 PRO N −16.59 −20.19 83.99 15.00 100 PRO CD −15.16 −20.25 84.37 15.00 100 PRO CA −17.34 −21.29 84.62 15.00 100 PRO CB −16.27 −21.98 85.47 15.00 100 PR6 CG −15.00 −21.70 84.70 15.00 100 PRO C −18.52 −20.82 85.48 15.00 100 PRO O −19.53 −21.51 85.58 15.00 101 THR N −18.37 −19.64 86.09 15.00 101 THR CA −19.42 −19.05 86.93 15.00 101 THR CB −18.92 −17.73 87.61 15.00 101 THR OG1 −17.73 −17.97 88.38 15.00 101 THR CG2 −19.99 −17.15 88.54 15.00 101 THR C −20.68 −18.73 86.12 15.00 101 THR O −21.77 −18.69 86.68 15.00 102 GLY N −20.52 −18.51 84.81 15.00 102 GLY CA −21.67 −18.18 83.97 15.00 102 GLY C −22.36 −19.33 83.25 15.00 102 GLY O −23.34 −19.12 82.53 15.00 103 LYS N −21.87 −20.54 83.47 15.00 103 LYS CA −22.41 −21.74 82.83 15.00 103 LYS CB −21.73 −22.98 83.40 15.00 103 LYS CG −21.93 −24.24 82.59 15.00 103 LYS CD −21.93 −25.43 83.52 15.00 103 LYS CE −20.80 −25.36 84.52 15.00 103 LYS NZ −21.18 −26.01 85.80 15.00 103 LYS C −23.91 −21.86 82.95 15.00 103 LYS O −24.44 −21.97 84.05 15.00 104 ALA N −24.60 −21.92 81.82 15.00 104 ALA CA −26.05 −22.02 81.81 15.00 104 ALA CB −26.65 −20.90 80.97 15.00 104 ALA C −26.59 −23.38 81.35 15.00 104 ALA O −27.77 −23.67 81.53 15.00 105 ALA N −25.72 −24.20 80.77 15.00 105 ALA CA −26.11 −25.53 80.29 15.00 105 ALA CB −27.03 −25.41 79.07 15.00 105 ALA C −24.88 −26.34 79.91 15.00 105 ALA O −23.75 −25.83 79.94 15.00 106 LYS N −25.12 −27.60 79.57 15.00 106 LYS CA −24.10 −28.54 79.11 15.00 106 LYS CB −23.33 −29.21 80.26 15.00 106 LYS CG −24.14 −30.16 81.14 15.00 106 LYS CD −23.57 −31.59 81.11 15.00 106 LYS CE −24.32 −32.54 82.06 15.00 106 LYS NZ −25.78 −32.68 81.70 15.00 106 LYS C −24.83 −29.57 78.27 15.00 106 LYS O −26.05 −29.54 78.19 15.00 107 CYS N −24.09 −30.44 77.60 15.00 107 CYS CA −24.70 −31.48 76.79 15.00 107 CYS CB −24.95 −31.05 75.34 15.00 107 CYS SG −23.54 −31.08 74.19 15.00 107 CYS C −23.84 −32.72 76.88 15.00 107 CYS O −22.66 −32.64 77.19 15.00 108 ARG N −24.45 −33.87 76.68 15.00 108 ARG CA −23.73 −35.13 76.74 15.00 108 ARG CB −24.36 −36.04 77.78 15.00 108 ARG CG −24.14 −35.57 79.21 15.00 108 ARG CD −24.54 −36.64 80.19 15.00 108 ARG NE −25.96 −36.93 80.10 15.00 108 ARG CZ −26.54 −38.01 80.61 15.00 108 ARG NH1 −25.81 −38.91 81.24 15.00 108 ARG NH2 −27.85 −38.18 80.50 15.00 108 ARG C −23.58 −35.82 75.39 15.00 108 ARG O −23.92 −36.99 75.24 15.00 109 GLY N −23.09 −35.08 74.41 15.00 109 GLY CA −22.90 −35.66 73.10 15.00 109 GLY C −23.96 −35.21 72.13 15.00 109 GLY O −24.80 −34.38 72.48 15.00 110 TYR N −23.95 −35.79 70.94 15.00 110 TYR CA −24.90 −35.45 69.88 15.00 110 TYR CB −24.35 −34.33 68.98 15.00 110 TYR CG −23.08 −34.72 68.26 15.00 110 TYR CD1 −21.84 −34.52 68.86 15.00 110 TYR CE1 −20.69 −34.96 68.26 15.00 110 TYR CD2 −23.13 −35.37 67.04 15.00 110 TYR CE2 −21.98 −35.82 66.43 15.00 110 TYR CZ −20.76 −35.62 67.05 15.00 110 TYR OH −19.61 −36.09 66.45 15.00 110 TYR C −25.28 −36.66 69.02 15.00 110 TYR O −24.66 −37.72 69.09 15.00 111 ARG N −26.28 −36.45 68.18 15.00 111 ARG CA −26.77 −37.47 67.27 15.00 111 ARG CB −28.06 −38.10 67.78 15.00 111 ARG CG −29.00 −38.71 66.72 15.00 111 ARG CD −28.59 −40.10 66.19 15.00 111 ARG NE −29.56 −40.59 65.20 15.00 111 ARG CZ −29.24 −41.12 64.02 15.00 111 ARG NH1 −27.97 −41.25 63.65 15.00 111 ARG NH2 −30.20 −41.45 63.15 15.00 111 ARG C −26.95 −36.78 65.92 15.00 111 ARG O −27.32 −35.60 65.85 15.00 112 GLU N −26.60 −37.49 64.86 15.00 112 GLU CA −26.73 −36.98 63.50 15.00 112 GLU CB −25.44 −37.25 62.71 15.00 112 GLU CG −24.23 −36.54 63.29 15.00 112 GLU CD −22.94 −36.81 62.52 15.00 112 GLU OE1 −22.55 −36.00 61.66 15.00 112 GLU OE2 −22.30 −37.84 62.82 15.00 112 GLU C −27.95 −37.64 62.84 15.00 112 GLU O −28.32 −38.74 63.20 15.00 113 ILE N −28.60 −36.94 61.93 15.00 113 ILE CA −29.75 −37.51 61.24 15.00 113 ILE CB −30.79 −36.40 60.90 15.00 113 ILE CG2 −31.82 −36.90 59.89 15.00 113 ILE CG1 −31.47 −35.89 62.17 15.00 113 ILE CD1 −32.11 −36.98 63.00 15.00 113 ILE C −29.23 −38.17 59.97 15.00 113 ILE O −28.24 −37.70 59.39 15.00 114 PRO N −29.81 −39.32 59.56 15.00 114 PRO CD −30.91 −40.08 60.16 15.00 114 PRO CA −29.34 −39.97 58.34 15.00 114 PRO CB −30.43 −41.01 58.08 15.00 114 PRO CG −30.84 −41.40 59.42 15.00 114 PRO C −29.30 −38.94 57.22 15.00 114 PRO O −30.29 −38.23 56.97 15.00 115 GLU N −28.14 −38.81 56.59 15.00 115 GLU CA −27.95 −37.85 55.52 15.00 115 GLU CB −26.52 −37.88 55.00 15.00 115 GLU CG −26.24 −36.84 53.95 15.00 115 GLU CD −24.87 −36.97 53.34 15.00 115 GLU OE1 −24.73 −37.74 52.35 15.00 115 GLU OE2 −23.94 −36.29 53.84 15.00 115 GLU C −28.94 −38.05 54.38 15.00 115 GLU O −29.14 −39.17 53.91 15.00 116 GLY N −29.55 −36.96 53.95 15.00 116 GLY CA −30.51 −37.02 52.86 15.00 116 GLY C −31.93 −37.43 53.23 15.00 116 GLY O −32.85 −37.23 52.44 15.00 117 ASN N −32.12 −37.92 54.46 15.00 117 ASN CA −33.43 −38.37 54.93 15.00 117 ASN CB −33.27 −39.59 55.85 15.00 117 ASN CG −34.53 −40.48 55.92 15.00 117 ASN OD1 −35.65 −40.02 55.70 15.00 117 ASN ND2 −34.34 −41.74 56.27 15.00 117 ASN C −34.30 −37.30 55.60 15.00 117 ASN O −34.12 −37.00 56.79 15.00 118 GLU N −35.26 −36.75 54.86 15.00 118 GLU CA −36.18 −35.73 55.38 15.00 118 GLU CB −36.91 −34.98 54.26 15.00 118 GLU CG −36.01 −34.11 53.37 15.00 118 GLU CD −36.78 −33.09 52.55 15.00 118 GLU OE1 −36.86 −33.26 51.32 15.00 118 GLU OE2 −37.30 −32.11 53.13 15.00 118 GLU C −37.19 −36.37 56.35 15.00 118 GLU O −37.57 −35.76 57.35 15.00 119 LYS N −37.59 −37.60 56.06 15.00 119 LYS CA −38.53 −38.31 56.92 15.00 119 LYS CB −38.89 −39.68 56.33 15.00 119 LYS CG −40.10 −40.36 56.97 15.00 119 LYS CD −40.37 −41.75 56.35 15.00 119 LYS CE −39.71 −42.89 57.16 15.00 119 LYS NZ −39.80 −44.23 56.47 15.00 119 LYS C −37.89 −38.45 58.30 15.00 119 LYS O −38.53 −38.23 59.33 15.00 120 ALA N −36.59 −38.76 58.30 15.00 120 ALA CA −35.85 −38.91 59.54 15.00 120 ALA CB −34.44 −39.41 59.25 15.00 120 ALA C −35.78 −37.58 60.26 15.00 120 ALA O −35.89 −37.52 61.49 15.00 121 LEU N −35.61 −36.51 59.48 15.00 121 LEU CA −35.52 −35.16 60.02 15.00 121 LEU CB −35.02 −34.18 58.94 15.00 121 LEU CG −34.84 −32.68 59.23 15.00 121 LEU CD1 −33.98 −32.43 60.46 15.00 121 LEU CD2 −34.25 −32.02 57.99 15.00 121 LEU C −36.83 −34.68 60.68 15.00 121 LEU O −36.79 −34.05 61.74 15.00 122 LYS N −37.97 −35.03 60.08 15.00 122 LYS CA −39.29 −34.65 60.60 15.00 122 LYS CB −40.42 −34.99 59.63 15.00 122 LYS CG −41.82 −34.90 60.26 15.00 122 LYS CD −42.89 −35.49 59.34 15.00 122 LYS CE −44.28 −35.44 59.97 15.00 122 LYS NZ −45.36 −35.91 59.03 15.00 122 LYS C −39.57 −35.33 61.92 15.00 122 LYS O −40.03 −34.70 62.88 15.00 123 ARG N −39.33 −36.63 61.96 15.00 123 ARG CA −39.55 −37.40 63.17 15.00 123 ARG CB −39.26 −38.88 62.91 15.00 123 ARG CG −40.26 −39.53 61.95 15.00 123 ARG CD −40.04 −41.04 61.79 15.00 123 ARG NE −38.71 −41.35 61.25 15.00 123 ARG CZ −37.76 −42.03 61.89 15.00 123 ARG NH1 −37.99 −42.51 63.12 15.00 123 ARG NH2 −36.57 −42.20 61.33 15.00 123 ARG C −38.72 −36.82 64.33 15.00 123 ARG O −39.21 −36.72 65.46 15.00 124 ALA N −37.50 −36.38 64.04 15.00 124 ALA CA −36.62 −35.79 65.05 15.00 124 ALA CB −35.21 −35.60 64.50 15.00 124 ALA C −37.17 −34.46 65.58 15.00 124 ALA O −37.17 −34.21 66.79 15.00 125 VAL N −37.64 −33.61 64.68 15.00 125 VAL CA −38.20 −32.33 65.09 15.00 125 VAL CB −38.57 −31.44 63.87 15.00 125 VAL CG1 −39.39 −30.23 64.31 15.00 125 VAL CG2 −37.30 −30.97 63.15 15.00 125 VAL C −39.41 −32.57 65.99 15.00 125 VAL O −39.53 −31.99 67.07 15.00 126 ALA N −40.27 −33.49 65.58 15.00 126 ALA CA −41.46 −33.83 66.34 15.00 126 ALA CB −42.27 −34.90 65.62 15.00 126 ALA C −41.15 −34.29 67.77 15.00 126 ALA O −41.69 −33.74 68.73 15.00 127 ARG N −40.26 −35.26 67.93 15.00 127 ARG CA −39.95 −35.76 69.27 15.00 127 ARG CB −39.99 −37.28 69.30 15.00 127 ARG CG −38.95 −37.98 68.45 15.00 127 ARG CD −39.08 −39.48 68.63 15.00 127 ARG NE −40.43 −39.95 68.30 I5.00 127 ARG CZ −41.25 −40.58 69.14 15.00 127 ARG NH1 −42.47 −40.94 68.73 15.00 127 ARG NH2 −40.88 −40.83 70.39 15.00 127 ARG C −38.72 −35.26 70.01 15.00 127 ARG O −38.50 −35.65 71.15 15.00 128 VAL N −37.91 −34.42 69.40 15.00 128 VAL CA −36.72 −33.94 70.07 15.00 128 VAL CB −35.46 −34.31 69.27 15.00 128 VAL CG1 −34.25 −33.52 69.74 15.00 128 VAL CG2 −35.18 −35.79 69.42 15.00 128 VAL C −36.78 −32.43 70.32 15.00 128 VAL O −36.54 −31.96 71.43 15.00 129 GLY N −37.12 −31.68 69.28 15.00 129 GLY CA −37.18 −30.24 69.39 15.00 129 GLY C −36.41 −29.69 68.22 15.00 129 GLY O −36.10 −30.46 67.30 15.00 130 PRO N −36.09 −28.39 68.19 15.00 130 PRO CD −36.46 −27.40 69.22 15.00 130 PRO CA −35.34 −27.75 67.11 15.00 130 PRO CB −35.01 −26.38 67.70 15.00 130 PRO CG −36.23 −26.08 68.51 15.00 130 PRO C −34.06 −28.52 66.73 15.00 130 PRO O −33.35 −29.05 67.61 15.00 131 VAL N −33.78 −28.58 65.44 15.00 131 VAL CA −32.61 −29.30 64.92 15.00 131 VAL CB −33.05 −30.57 64.15 15.00 131 VAL CG1 −31.85 −31.31 63.57 15.00 131 VAL CG2 −33.84 −31.50 65.07 15.00 131 VAL C −31.71 −28.42 64.02 15.00 131 VAL O −32.21 −27.71 63.14 15.00 132 SER N −30.41 −28.44 64.29 15.00 132 SER CA −29.40 −27.69 63.53 15.00 132 SER CB −28.07 −27.65 64.28 15.00 132 SER OG −28.22 −27.17 65.59 15.00 132 SER C −29.19 −28.31 62.13 15.00 132 SER O −28.82 −29.48 62.02 15.00 133 VAL N −29.40 −27.52 61.08 15.00 133 VAL CA −29.23 −28.02 59.73 15.00 133 VAL CB −30.6O −28.18 58.99 15.00 133 VAL CG1 −31.53 −29.06 59.80 15.00 133 VAL CG2 −31.24 −26.84 58.70 15.00 133 VAL C −28.35 −27.10 58.89 15.00 133 VAL O −28.22 −25.92 59.20 15.00 134 ALA N −27.74 −27.66 57.85 15.00 134 ALA CA −26.88 −26.90 56.95 15.00 134 ALA CB −25.50 −27.56 56.83 15.00 134 ALA C −27.59 −26.86 55.59 15.00 134 ALA O −28.15 −27.87 55.15 15.00 135 ILE N −27.61 −25.69 54.96 15.00 135 ILE CA −28.28 −25.52 53.68 15.00 135 ILE CB −29.64 −24.75 53.86 15.00 135 ILE CG2 −30.59 −25.51 54.77 15.00 135 ILE CG1 −29.37 −23.34 54.39 15.00 135 ILE CD1 −30.61 −22.47 54.50 15.00 135 ILE C −27.45 −24.69 52.71 15.00 135 ILE O −26.36 −24.22 53.04 15.00 136 ASP N −27.98 −24.56 51.49 15.00 136 ASP CA −27.37 −23.75 50.45 15.00 136 ASP CB −27.45 −24.42 49.07 15.00 136 ASP CG −26.86 −23.57 47.94 15.00 136 ASP OD1 −26.91 −24.02 46.79 15.00 136 ASP OD2 −26.35 −22.45 48.19 15.00 136 ASP C −28.21 −22.46 50.50 15.00 136 ASP O −29.41 −22.48 50.22 15.00 137 ALA N −27.58 −21.38 50.92 15.00 137 ALA CA −28.23 −20.08 51.04 15.00 137 ALA CB −28.30 −19.68 52.49 15.00 137 ALA C −27.45 −19.04 50.25 15.00 137 ALA O −27.31 −17.91 50.69 15.00 138 SER N −26.97 −19.44 49.08 15.00 138 SER CA −26.18 −18.56 48.22 15.00 138 SER CB −25.05 −19.36 47.56 15.00 138 SER OG −25.57 −20.33 46.67 15.00 138 SER C −26.99 −17.81 47.16 15.00 138 SER O −26.48 −16.88 46.52 15.00 139 LEU N −28.23 −18.24 46.97 15.00 139 LEU CA −29.11 −17.68 45.97 15.00 139 LEU CB −30.17 −18.70 45.55 15.00 139 LEU CG −29.68 −19.89 44.71 15.00 139 LEU CD1 −28.41 −20.51 45.27 15.00 139 LEU CD2 −30.78 −20.93 44.65 15.00 139 LEU C −29.76 −16.35 46.31 15.00 139 LEU O −30.20 −16.13 47.44 15.00 140 THR N −29.82 −15.48 45.31 15.00 140 THR CA −30.41 −14.15 45.44 15.00 140 THR CB −30.31 −13.40 44.07 15.00 140 THR OG1 −28.94 −13.06 43.81 15.00 140 THR CG2 −31.17 −12.14 44.06 15.00 140 THR C −31.87 −14.27 45.91 15.00 140 THR O −32.36 −13.41 46.66 15.00 141 SER N −32.55 −15.34 45.50 15.00 141 SER CA −33.93 −15.58 45.89 15.00 141 SER CB −34.47 −16.84 45.23 15.00 141 SER OG −33.61 −17.94 45.44 15.00 141 SER C −34.00 −15.70 47.41 15.00 141 SER O −34.83 −15.07 48.07 15.00 142 PHE N −33.07 −16.47 47.97 15.00 142 PHE CA −32.99 −16.70 49.40 15.00 142 PHE CB −31.94 −17.76 49.73 15.00 142 PHE CG −31.90 −18.15 51.17 15.00 142 PHE CD1 −32.77 −19.12 51.66 15.00 142 PHE CD2 −31.02 −17.55 52.05 15.00 142 PHE CE1 −32.75 −19.48 53.00 15.00 142 PHE CE2 −31.00 −17.90 53.39 15.00 142 PHE CZ −31.86 −18.87 53.86 15.00 142 PHE C −32.73 −15.42 50.16 15.00 142 PHE O −33.46 −15.07 51.08 15.00 143 GLN N −31.67 −14.71 49.76 15.00 143 GLN CA −31.30 −13.45 50.40 15.00 143 GLN CB −30.10 −12.81 49.70 15.00 143 GLN CG −29.69 −11.45 50.28 15.00 143 GLN CD −28.34 −10.91 49.77 15.00 143 GLN OE1 −27.73 −10.04 50.40 15.00 143 GLN NE2 −27.85 −11.46 48.64 15.00 143 GLN C −32.50 −12.51 50.43 15.00 143 GLN O −32.76 −11.85 51.44 15.00 144 PHE N −33.28 −12.51 49.36 15.00 144 PHE CA −34.43 −11.62 49.26 15.00 144 PHE CB −34.43 −10.90 47.89 15.00 144 PHE CG −33.21 −10.01 47.66 15.00 144 PHE CD1 −32.96 −8.92 48.48 15.00 144 PHE CD2 −32.31 −10.29 46.63 15.00 144 PHE CE1 −31.83 −8.12 48.30 15.00 144 PHE CE2 −31.17 −9.48 46.44 15.00 144 PHE CZ −30.94 −8.40 47.27 15.00 144 PHE C −35.79 −12.23 49.61 15.00 144 PHE O −36.83 −11.62 49.35 15.00 145 TYR N −35.78 −13.41 50.24 15.00 145 TYR CA −37.03 −14.08 50.64 15.00 145 TYR CB −36.76 −15.42 51.35 1S.00 145 TYR CG −37.96 −16.00 52.08 15.00 145 TYR CD1 −38.82 −16.92 51.46 15.00 145 TYR CE1 −39.93 −17.45 52.13 15.00 145 TYR CD2 −38.26 −15.62 53.38 15.00 145 TYR CE2 −39.37 −16.13 54.05 15.00 145 TYR CZ −40.20 −17.04 53.43 15.00 145 TYR OH −41.29 −17.54 54.12 15.00 145 TYR C −37.90 −13.18 51.52 15.00 145 TYR O −37.38 −12.43 52.36 15.00 146 SER N −39.21 −13.31 51.38 15.00 146 SER CA −40.13 −12.49 52.15 15.00 146 SER CB −40.37 −11.15 51.45 15.00 146 SER OG −40.91 −11.35 50.15 15.00 146 SER C −41.46 −13.15 52.51 15.00 146 SER O −41.95 −12.96 53.62 15.00 147 LYS N −42.01 −13.92 51.58 15.00 147 LYS CA −43.30 −14.59 51.76 15.00 147 LYS CB −44.42 −13.76 51.10 15.00 147 LYS CG −44.60 −12.34 51.62 15.00 147 LYS CD −45.05 −12.34 53.08 15.00 147 LYS CE −45.37 −10.92 53.58 15.00 147 LYS NZ −46.00 −10.90 54.93 15.00 147 LYS C −43.37 −16.03 51.20 15.00 147 LYS O −42.63 −16.39 50.27 15.00 148 GLY N −44.29 −16.81 51.75 15.00 148 GLY CA −44.52 −18.16 51.28 15.00 148 GLY C −43.46 −19.22 51.49 15.00 148 GLY O −42.47 −18.99 52.18 15.00 149 VAL N −43.70 −20.41 50.95 15.00 149 VAL CA −42.78 −21.53 51.07 15.00 149 VAL CB −43.53 −22.90 50.95 15.00 149 VAL CG1 −42.55 −24.07 50.90 15.00 149 VAL CG2 −44.47 −23.08 52.14 15.00 149 VAL C −41.69 −21.41 50.01 15.00 149 VAL O −41.94 −21.55 48.82 15.00 150 TYR N −40.49 −21.08 50.48 15.00 150 TYR CA −39.31 −20.92 49.63 15.00 150 TYR CB −38.12 −20.36 50.42 15.00 150 TYR CG −36.84 −20.29 49.60 15.00 150 TYR CD1 −36.67 −19.30 48.63 15.00 150 TYR CE1 −35.54 −19.29 47.81 15.00 150 TYR CD2 −35.84 −21.25 49.74 15.00 150 TYR CE2 −34.71 −21.24 48.92 15.00 150 TYR CZ −34.57 −20.26 47.96 15.00 150 TYR OH −33.48 −20.27 47.12 15.00 150 TYR C −38.89 −22.18 48.89 15.00 150 TYR O −38.88 −23.28 49.45 15.00 151 TYR N −38.47 −21.98 47.65 15.00 151 TYR CA −37.98 −23.03 46.77 15.00 151 TYR CB −39.09 −23.99 46.35 15.00 151 TYR CG −38.62 −25.09 45.42 15.00 151 TYR CD1 −37.92 −26.20 45.91 15.00 151 TYR CE1 −37.51 −27.23 45.06 15.00 151 TYR CD2 −38.89 −25.04 44.05 15.00 151 TYR CE2 −38.49 −26.07 43.19 15.00 151 TYR CZ −37.80 −27.16 43.70 15.00 151 TYR OH −37.46 −28.21 42.87 15.00 151 TYR C −37.35 −22.39 45.55 15.00 151 TYR O −37.80 −21.33 45.07 15.00 152 ASP N −36.30 −23.02 45.05 15.00 152 ASP CA −35.59 −22.54 43.86 15.00 152 ASP CB −34.66 −21.38 44.20 15.00 152 ASP CG −34.13 −20.68 42.97 15.00 152 ASP OD1 −33.52 −19.60 43.12 15.00 152 ASP OD2 −34.32 −21.20 41.84 15.00 152 ASP C −34.83 −23.70 43.25 15.00 152 ASP O −33.94 −24.27 43.89 15.00 153 GLU N −35.15 −24.04 42.01 15.00 153 GLU CA −34.50 −25.15 41.34 15.00 153 GLU CB −35.16 −25.45 40.00 15.00 153 GLU CG −34.95 −24.38 38.96 15.00 153 GLU CD −35.39 −24.81 37.56 15.00 153 GLU OE1 −35.72 −26.00 37.37 15.00 153 GLU OE2 −35.40 −23.94 36.66 15.00 153 GLU C −32.98 −25.02 41.17 15.00 153 GLU O −32.30 −26.01 40.92 15.00 154 SER N −32.46 −23.80 41.32 15.00 154 SER CA −31.02 −23.56 41.18 15.00 154 SER CB −30.77 −22.15 40.66 15.00 154 SER OG −31.56 −21.91 39.50 15.00 154 SER C −30.23 −23.82 42.46 15.00 154 SER O −28.99 −23.76 42.45 15.00 155 CYS N −30.94 −24.13 43.53 15.00 155 CYS CA −30.35 −24.39 44.84 15.00 155 CYS C −29.60 −25.71 44.92 15.00 155 CYS O −30.20 −26.78 44.85 15.00 155 CYS CB −31.43 −24.32 45.91 15.00 155 CYS SG −30.84 −23.76 47.53 15.00 156 ASN N −28.29 −25.64 45.11 15.00 156 ASN CA −27.46 −26.84 45.20 15.00 156 ASN CB −26.08 −26.58 44.61 15.00 156 ASN CG −25.26 −27.85 44.48 15.00 156 ASN OD1 −25.77 −28.97 44.56 15.00 156 ASN ND2 −23.96 −27.69 44.26 15.00 156 ASN C −27.33 −27.51 46.58 15.00 156 ASN O −26.74 −26.95 47.51 15.00 157 SER N −27.78 −28.76 46.65 15.00 157 SER CA −27.73 −29.53 47.88 15.00 157 SER CB −28.66 −30.74 47.80 15.00 157 SER OG −28.22 −31.64 46.80 15.00 157 SER C −26.33 −29.97 48.29 15.00 157 SER O −26.16 −30.58 49.35 15.00 158 ASP N −25.34 −29.71 47.43 15.00 158 ASP CA −23.95 −30.07 47.71 15.00 158 ASP CB −23.35 −30.92 46.59 15.00 158 ASP CG −24.02 −32.27 46.47 15.00 158 ASP OD1 −24.01 −33.04 47.47 15.00 158 ASP OD2 −24.58 −32.55 45.38 15.00 158 ASP C −23.09 −28.84 47.97 15.00 158 ASP O −21.86 −28.90 47.96 15.00 159 ASN N −23.76 −27.70 48.14 15.00 159 ASN CA −23.08 −26.45 48.42 15.00 159 ASN CB −23.32 −25.45 47.30 15.00 159 ASN CG −22.57 −24.14 47.51 15.00 159 ASN OD1 −21.74 −24.00 48.41 15.00 159 ASN ND2 −22.86 −23.16 46.67 15.00 159 ASN C −23.69 −25.99 49.73 15.00 159 ASN O −24.50 −25.06 49.75 15.00 160 LEU N −23.39 −26.71 50.81 15.00 160 LEU CA −23.89 −26.38 52.15 15.00 160 LEU CB −23.90 −27.62 53.06 15.00 160 LEU CG −24.57 −28.92 52.58 15.00 160 LEU CD1 −24.38 −30.01 53.60 15.00 160 LEU CD2 −26.04 −28.72 52.33 15.00 160 LEU C −23.01 −25.25 52.70 15.00 160 LEU O −21.92 −25.48 53.22 15.00 161 ASN N −23.52 −24.02 52.60 15.00 161 ASN CA −22.76 −22.83 53.00 15.00 161 ASN CB −22.57 −21.92 51.79 15.00 161 ASN CG −23.88 −21.63 51.05 15.00 161 ASN OD1 −24.76 −20.95 51.55 15.00 161 ASN ND2 −24.00 −22.18 49.86 15.00 161 ASN C −23.26 −22.01 54.20 15.00 161 ASN O −22.55 −21.12 54.69 15.00 162 HIS N −24.46 −22.32 54.68 15.00 162 HIS CA −25.05 −21.57 55.79 15.00 162 HIS CB −25.96 −20.49 55.23 15.00 162 HIS CG −26.59 −19.59 56.25 15.00 162 HIS CD2 −27.87 −19.21 56.42 15.00 162 HIS ND1 −25.86 −18.91 57.21 15.00 162 HIS CE1 −26.66 −18.14 57.91 15.00 162 HIS NE2 −27.89 −18.30 57.45 15.00 162 HIS C −25.78 −22.50 56.78 15.00 162 HIS O −26.69 −23.22 56.39 15.00 163 ALA N −25.32 −22.55 58.02 15.00 163 ALA CA −25.96 −23.37 59.05 15.00 163 ALA CB −24.98 −23.74 60.15 15.00 163 ALA C −27.13 −22.57 59.62 15.00 163 ALA O −26.96 −21.42 60.03 15.00 164 VAL N −28.29 −23.20 59.71 15.00 164 VAL CA −29.50 −22.54 60.16 15.00 164 VAL CB −30.35 −22.26 58.88 15.00 164 VAL CG1 −31.36 −23.35 58.63 15.00 164 VAL CG2 −30.92 −20.89 58.89 15.00 164 VAL C −30.20 −23.45 61.21 15.00 164 VAL O −29.65 −24.48 61.57 15.00 165 LEU N −31.35 −23.06 61.74 15.00 165 LEU CA −32.05 −23.90 62.72 15.00 165 LEU CB −32.05 −23.25 64.11 15.00 165 LEU CG −32.78 −23.96 65.26 15.00 165 LEU CD1 −32.01 −25.18 65.72 15.00 165 LEU CD2 −32.97 −22.99 66.42 15.00 165 LEU C −33.48 −24.25 62.31 15.00 165 LEU O −34.26 −23.36 61.97 15.00 166 ALA N −33.83 −25.54 62.36 15.00 166 ALA CA −35.17 −26.00 62.00 15.00 166 ALA CB −35.08 −27.37 61.33 15.00 166 ALA C −36.09 −26.07 63.23 15.00 166 ALA O −36.08 −27.05 63.97 15.00 167 VAL N −36.92 −25.04 63.39 15.00 167 VAL CA −37.82 −24.95 64.54 15.00 167 VAL CB −37.90 −23.48 65.05 15.00 167 VAL CG1 −36.52 −22.98 65.43 15.00 167 VAL CG2 −38.52 −22.57 64.00 15.00 1G7 VAL C −39.23 −25.53 64.35 15.00 167 VAL O −40.12 −25.32 65.18 15.00 168 GLY N −39.43 −26.27 63.27 15.00 168 GLY CA −40.73 −26.86 63.04 15.00 168 GLY C −40.94 −27.30 61.61 15.00 168 GLY O −40.00 −27.42 60.82 15.00 169 TYR N −42.21 −27.55 61.29 15.00 169 TYR CA −42.63 −28.00 59.98 15.00 169 TYR CB −42.14 −29.44 59.67 15.00 169 TYR CG −42.65 −30.54 60.59 15.00 169 TYR CD1 −43.92 −31.12 60.41 15.00 169 TYR CE1 −44.37 −32.15 61.25 15.00 169 TYR CD2 −41.86 −31.02 61.63 15.00 169 TYR CE2 −42.31 −32.06 62.47 15.00 169 TYR CZ −43.57 −32.61 62.27 15.00 169 TYR OH −44.00 −33.61 63.11 15.00 169 TYR C −44.14 −27.91 59.91 15.00 169 TYR O −44.83 −27.98 60.92 15.00 170 GLY N −44.65 −27.78 58.70 15.00 170 GLY CA −46.08 −27.68 58.51 15.00 170 GLY C −46.38 −27.73 57.04 15.00 170 GLY O −45.57 −28.17 56.24 15.00 171 ILE N −47.52 −27.17 56.68 15.00 171 ILE CA −47.97 −27.14 55.30 15.00 171 ILE CB −48.87 −28.38 55.01 15.00 171 ILE CG2 −49.85 −28.63 56.15 15.00 171 ILE CG1 −49.58 −28.25 53.67 15.00 171 ILE CD1 −50.27 −29.51 53.26 15.00 171 ILE C −48.71 −25.83 55.06 15.00 171 ILE O −49.51 −25.40 55.88 15.00 172 GLN N −48.35 −25.13 53.99 15.00 172 GLN CA −48.99 −23.87 53.65 15.00 172 GLN CB −48.01 −22.70 53.72 15.00 172 GLN CG −48.67 −21.36 53.62 15.00 172 GLN CD −47.71 −20.23 53.89 15.00 172 GLN OE1 −47.35 −19.97 55.05 15.00 172 GLN NE2 −47.27 −19.55 52.84 15.00 172 GLN C −49.60 −24.00 52.25 15.00 172 GLN O −48.88 −24.13 51.26 15.00 173 LYS N −50.93 −23.99 52.20 15.00 173 LYS CA −51.68 −24.15 50.97 15.00 173 LYS CB −51.66 −22.89 50.10 15.00 173 LYS CG −52.38 −23.03 48.72 15.00 173 LYS CD −53.92 −23.15 48.79 15.00 173 LYS CE −54.45 −24.44 49.47 15.00 173 LYS NZ −54.10 −25.73 48.79 15.00 173 LYS C −51.15 −25.34 50.20 15.00 173 LYS O −50.54 −25.19 49.14 15.00 174 GLY N −51.31 −26.53 50.77 15.00 174 GLY CA −50.84 −27.73 50.10 15.00 174 GLY C −49.36 −27.74 49.76 15.00 174 GLY O −48.95 −28.42 48.82 15.00 175 ASN N −48.57 −26.97 50.50 15.00 175 ASN CA −47.12 −26.90 50.30 15.00 175 ASN CB −46.69 −25.54 49.74 15.00 175 ASN CG −46.88 −25.43 48.24 15.00 175 ASN OD1 −45.91 −25.39 47.48 15.00 175 ASN ND2 −48.13 −25.38 47.79 15.00 175 ASN C −46.40 −27.18 51.61 15.00 175 ASN O −46.33 −26.31 52.49 15.00 176 LYS N −45.91 −28.41 51.76 15.00 176 LYS CA −45.18 −28.82 52.97 15.00 176 LYS CB −44.88 −30.32 52.95 15.00 176 LYS CG −46.14 −31.18 52.92 15.00 176 LYS CD −45.83 −32.64 52.63 15.00 176 LYS CE −47.08 −33.51 52.74 15.00 176 LYS NZ −47.62 −33.57 54.13 15.00 176 LYS C −43.90 −28.00 53.08 15.00 176 LYS O −43.34 −27.58 52.07 15.00 177 HIS N −43.42 −27.80 54.30 15.00 177 HIS CA −42.23 −26.99 54.52 15.00 177 HIS CB −42.58 −25.51 54.38 15.00 177 HIS CG −43.53 −25.04 55.43 15.00 177 HIS CD2 −43.36 −24.83 56.76 15.00 177 HIS ND1 −44.87 −24.83 55.18 15.00 177 HIS CE1 −45.48 −24.50 56.31 15.00 177 HIS NE2 −44.59 −24.50 57.28 15.00 177 HIS C −41.62 −27.24 55.88 15.00 177 HIS O −42.21 −27.92 56.71 15.00 178 TRP N −40.49 −26.58 56.12 15.00 178 TRP CA −39.74 −26.60 57.38 15.00 178 TRP CB −38.28 −27.02 57.18 15.00 178 TRP CG −38.08 −28.36 56.62 15.00 178 TRP CD2 −38.10 −29.59 57.34 15.00 178 TRP CE2 −37.84 −30.62 56.41 15.00 178 TRP CE3 −38.30 −29.94 58.68 15.00 178 TRP CD1 −37.82 −28.67 55.32 15.00 178 TRP NE1 −37.68 −30.02 55.18 15.00 178 TRP CZ2 −37.79 −31.98 56.77 15.00 178 TRP CZ3 −38.25 −31.28 59.05 15.00 178 TRP CH2 −37.99 −32.28 58.09 15.00 178 TRP C −39.76 −25.15 57.89 15.00 178 TRP O −39.63 −24.21 57.10 15.00 179 ILE N −39.96 −24.95 59.18 15.00 179 ILE CA −39.96 −23.60 59.72 15.00 179 ILE CB −40.92 −23.46 60.92 15.00 179 ILE CG2 −41.00 −22.01 61.38 15.00 179 ILE CG1 −42.33 −23.91 60.50 15.00 179 ILE CD1 −43.31 −23.94 61.64 15.00 179 ILE C −38.50 −23.37 60.10 15.00 179 ILE O −37.97 −24.03 61.00 15.00 180 ILE N −37.84 −22.48 59.36 15.00 180 ILE CA −36.43 −22.18 59.55 15.00 180 ILE CB −35.67 −22.22 58.19 15.00 180 ILE CG2 −34.25 −21.74 58.35 15.00 180 ILE CG1 −35.73 −23.63 57.58 15.00 180 ILE CD1 −35.19 −24.73 58.48 15.00 180 ILE C −36.14 −20.84 60.22 15.00 180 ILE O −36.63 −19.80 59.79 15.00 181 LYS N −35.33 −20.88 61.27 15.00 181 LYS CA −34.93 −19.68 62.01 15.00 181 LYS CB −34.89 −19.94 63.51 15.00 181 LYS CG −34.35 −18.76 64.31 15.00 181 LYS CD −34.18 −19.11 65.77 15.00 181 LYS CE −33.68 −17.92 66.56 15.00 181 LYS NZ −33.51 −18.24 68.01 15.00 181 LYS C −33.55 −19.25 61.51 15.00 181 LYS O −32.61 −20.03 61.53 15.00 182 ASN N −33.43 −18.00 61.07 15.00 182 ASN CA −32.16 −17.49 60.56 15.00 182 ASN CB −32.35 −16.82 59.19 15.00 182 ASN CG −31.05 −16.69 58.41 15.00 182 ASN OD1 −30.02 −17.26 58.78 15.00 182 ASN ND2 −31.09 −15.95 57.31 15.00 182 ASN C −31.49 −16.53 61.56 15.00 182 ASN O −32.12 −16.09 62.52 15.00 183 SER N −30.20 −16.28 61.35 15.00 183 SER CA −29.44 −15.37 62.20 15.00 183 SER CB −28.30 −16.09 62.93 15.00 183 SER OG −27.53 −16.88 62.05 15.00 183 SER C −28.93 −14.14 61.42 15.00 183 SER O −27.77 −13.73 61.54 15.00 184 TRP N −29.81 −13.60 60.57 15.00 184 TRP CA −29.50 −12.41 59.78 15.00 184 TRP CB −29.71 −12.65 58.29 15.00 184 TRP CG −28.64 −13.47 57.67 15.00 184 TRP CD2 −28.66 −14.06 56.37 15.00 184 TRP CE2 −27.47 −14.81 56.23 15.00 184 TRP CE3 −29.58 −14.04 55.31 15.00 184 TRP CD1 −27.46 −13.86 58.25 15.00 184 TRP NE1 −26.76 −14.67 57.39 15.00 184 TRP CZ2 −27.18 −15.53 55.06 15.00 184 TRP CZ3 −29.29 −14.76 54.16 15.00 184 TRP CH2 −28.09 −15.49 54.04 15.00 184 TRP C −30.34 −11.22 60.27 15.00 184 TRP O −30.59 −10.27 59.53 15.00 185 GLY N −30.78 −11.31 61.52 15.00 185 GLY CA −31.57 −10.25 62.10 15.00 185 GLY C −33.05 −10.45 61.90 15.00 185 GLY O −33.50 −11.18 61.01 15.00 186 GLU N −33.81 −9.76 62.75 15.00 186 GLU CA −35.27 −9.78 62.74 15.00 186 GLU CB −35.81 −9.15 64.05 15.00 186 GLU CG −37.34 −9.12 64.18 15.00 186 GLU CD −37.84 −9.82 65.44 15.00 186 GLU OE1 −37.53 −9.33 66.55 15.00 186 GLU OE2 −38.54 −10.87 65.33 15.00 186 GLU C −35.85 −9.11 61.50 15.00 186 GLU O −36.99 −9.36 61.12 15.00 187 ASN N −35.05 −8.27 60.84 15.00 187 ASN CA −35.52 −7.59 59.64 15.00 187 ASN CB −35.00 −6.16 59.56 15.00 187 ASN CG −36.02 −5.17 60.07 15.00 187 ASN OD1 −35.91 −4.68 61.20 15.00 187 ASN ND2 −37.05 −4.90 59.25 15.00 187 ASN C −35.23 −8.31 58.33 15.00 187 ASN O −35.26 −7.72 57.27 15.00 188 TRP N −34.94 −9.60 58.43 15.00 188 TRP CA −34.68 −10.39 57.25 15.00 188 TRP CB −33.32 −11.10 57.33 15.00 188 TRP CG −33.12 −12.00 56.19 15.00 188 TRP CD2 −33.49 −13.38 56.12 15.00 188 TRP CE2 −33.22 −13.81 54.80 15.00 188 TRP CE3 −34.04 −14.29 57.03 15.00 188 TRP CD1 −32.64 −11.66 54.96 15.00 188 TRP NE1 −32.71 −12.74 54.12 15.00 188 TRP CZ2 −33.48 −15.13 54.37 15.00 188 TRP CZ3 −34.30 −15.60 56.60 15.00 188 TRP CH2 −34.02 −16.00 55.28 15.00 188 TRP C −35.82 −11.39 57.10 15.00 188 TRP O −36.41 −11.81 58.09 15.00 189 GLY N −36.11 −11.76 55.85 15.00 189 GLY CA −37.16 −12.72 55.57 15.00 189 GLY C −38.43 −12.37 56.32 15.00 189 GLY O −38.82 −11.20 56.40 15.00 190 ASN N −39.08 −13.38 56.89 15.00 190 ASN CA −40.30 −13.15 57.64 15.00 190 ASN CB −41.37 −14.19 57.30 15.00 190 ASN CG −42.78 −13.73 57.68 15.00 190 ASN OD1 −43.76 −14.38 57.34 15.00 190 ASN ND2 −42.88 −12.59 58.37 15.00 190 ASN C −40.02 −13.14 59.13 15.00 190 ASN O −40.22 −14.15 59.80 15.00 191 LYS N −39.56 −11.99 59.63 15.00 191 LYS CA −39.23 −11.78 61.05 15.00 191 LYS CB −40.40 −12.11 61.99 15.00 191 LYS CG −41.62 −11.23 61.84 15.00 191 LYS CD −42.63 −11.52 62.95 15.00 191 LYS CE −43.99 −10.85 62.71 15.00 191 LYS NZ −44.94 −11.70 61.92 15.00 191 LYS C −37.98 −12.58 61.45 15.60 191 LYS O −37.79 −12.95 62.61 15.00 192 GLY N −37.13 −12.82 60.45 15.00 192 GLY CA −35.90 −13.56 60.66 15.00 192 GLY C −36.13 −15.04 60.40 15.00 192 GLY O −35.29 −15.88 60.72 15.00 193 TYR N −37.28 −15.34 59.80 15.00 193 TYR CA −37.66 −16.70 59.49 15.00 193 TYR CB −38.91 −17.11 60.25 15.00 193 TYR CG −38.66 −17.45 61.68 15.00 193 TYR CD1 −38.59 −16.46 62.66 15.00 193 TYR CE1 −38.33 −16.78 63.98 15.00 193 TYR CD2 −38.48 −18.78 62.07 15.00 193 TYR CE2 −38.22 −19.11 63.38 15.00 193 TYR CZ −38.15 −18.11 64.34 15.00 193 TYR OH −37.89 −18.43 65.64 15.00 193 TYR C −37.86 −16.93 58.01 15.00 193 TYR O −37.92 −15.99 57.22 15.00 194 ILE N −37.97 −18.20 57.65 15.00 194 ILE CA −38.20 −18.60 56.28 15.00 194 ILE CB −36.88 −18.58 55.44 15.00 194 ILE CG2 −35.81 −19.44 56.08 15.00 194 ILE CG1 −37.16 −19.03 54.00 15.00 194 ILE CD1 −36.05 −18.68 53.02 15.00 194 ILE C −38.85 −20.00 56.28 15.00 194 ILE O −38.54 −20.83 57.14 15.00 195 LEU N −39.84 −20.20 55.42 15.00 195 LEU CA −40.50 −21.49 55.30 15.00 195 LEU CB −42.00 −21.36 55.08 15.00 195 LEU CG −42.81 −20.66 56.16 15.00 195 LEU CD1 −44.27 −20.65 55.77 15.00 195 LEU CD2 −42.60 −21.36 57.49 15.00 195 LEU C −39.83 −22.09 54.09 15.00 195 LEU O −39.85 −21.47 53.04 15.00 196 MET N −39.17 −23.23 54.23 15.00 196 MET CA −38.49 −23.84 53.10 15.00 196 MET CB −37.01 −24.08 53.39 15.00 196 MET CG −36.15 −22.83 53.37 15.0o 196 MET SD −34.45 −23.19 53.93 15.00 196 MET CE −33.63 −23.67 52.36 15.00 196 MET C −39.17 −25.14 52.72 15.00 196 MET O −39.59 −25.89 53.59 15.00 197 ALA N −39.22 −25.41 51.41 15.00 197 ALA CA −39.86 −26.62 50.87 15.00 197 ALA CB −39.64 −26.70 49.36 15.00 197 ALA C −39.42 −27.93 51.53 15.00 197 ALA O −38.23 −28.21 51.67 15.00 198 ARG N −40.41 −28.73 51.91 15.00 198 ARG CA −40.18 −30.01 52.57 15.00 198 ARG CB −40.77 −30.03 53.98 15.00 198 ARG CG −40.78 −31.39 54.66 15.00 198 ARG CD −41.18 −31.28 56.12 15.00 198 ARG NE −42.52 −30.73 56.31 15.00 198 ARG CZ −43.63 −31.47 56.40 15.00 198 ARG NH1 −43.55 −32.80 56.31 15.00 198 ARG NH2 −44.80 −30.89 56.62 15.00 198 ARG C −40.74 −31.13 51.71 15.00 198 ARG O −41.84 −31.00 51.16 15.00 199 ASN N −39.98 −32.21 51.61 15.00 199 ASN CA −40.35 −33.37 50.81 15.00 199 ASN CB −41.72 −33.92 51.23 15.00 199 ASN CG −41.71 −34.55 52.61 15.00 199 ASN OD1 −40.67 −34.60 53.26 15.00 199 ASN ND2 −42.87 −35.01 53.07 15.00 199 ASN C −40.31 −33.04 49.32 15.00 199 ASN O −41.18 −33.43 48.57 15.00 200 LYS N −39.30 −32.27 48.92 15.00 200 LYS CA −39.13 −31.88 47.54 15.00 200 LYS CB −39.46 −30.41 47.32 15.00 200 LYS CG −39.74 −30.07 45.87 15.00 200 LYS CD −41.24 −30.05 45.59 15.00 200 LYS CE −41.92 −28.93 46.40 15.00 200 LYS NZ −43.41 −28.84 46.21 15.00 200 LYS C −37.68 −32.17 47.16 15.00 200 LYS O −36.89 −31.26 46.91 15.00 201 ASN N −37.34 −33.45 47.14 15.00 201 ASN CA −36.00 −33.95 46.83 15.00 201 ASN CB −35.78 −34.02 45.31 15.00 201 ASN CG −36.19 −32.75 44.59 15.00 201 ASN OD1 −37.20 −32.72 43.87 15.00 201 ASN ND2 −35.40 −31.70 44.76 15.00 201 ASN C −34.84 −33.24 47.54 15.00 201 ASN O −33.84 −32.88 46.92 15.00 202 ASN N −34.98 −33.11 48.86 15.00 202 ASN CA −33.97 −32.49 49.74 15.00 202 ASN CB −32.74 −33.42 49.89 15.00 202 ASN CG −31.91 −33.12 51.13 15.00 202 ASN OD1 −32.36 −32.48 52.07 15.00 202 ASN ND2 −30.67 −33.60 51.13 15.00 202 ASN C −33.56 −31.08 49.33 15.00 202 ASN O −32.39 −30.82 49.02 15.00 203 ALA N −34.51 −30.16 49.36 15.00 203 ALA H −35.31 −30.45 49.85 15.00 203 ALA CA −34.34 −28.77 48.93 15.00 203 ALA CB −35.57 −27.93 49.27 15.00 203 ALA C −33.15 −28.14 49.67 15.00 203 ALA O −33.11 −27.98 50.89 15.00 204 CYS N −32.16 −27.74 48.86 15.00 204 CYS CA −30.95 −27.06 49.31 15.00 204 CYS C −30.08 −27.85 50.28 15.00 204 CYS O −29.25 −27.26 50.98 15.00 204 CYS CB −31.27 −25.68 49.90 15.00 204 CYS SG −32.21 −24.52 48.84 15.00 205 GLY N −30.24 −29.17 50.32 15.00 205 GLY CA −29.45 −29.99 51.22 15.00 205 GLY C −29.93 −29.89 52.66 15.00 205 GLY O −29.14 −30.07 53.60 15.00 206 ILE N −31.23 −29.68 52.83 15.00 206 ILE CA −31.84 −29.52 54.15 15.00 206 ILE CB −33.39 −29.24 54.01 15.00 206 ILE CG2 −34.12 −30.44 53.42 15.00 206 ILE CG1 −34.00 −28.84 55.35 15.00 206 ILE CD1 −33.66 −27.44 55.81 15.00 206 ILE C −31.57 −30.69 55.11 15.00 206 ILE O −31.39 −30.47 56.31 15.00 207 ALA N −31.46 −31.91 54.59 15.00 207 ALA CA −31.21 −33.09 55.42 15.00 207 ALA CB −32.32 −34.12 55.21 15.00 207 ALA C −29.83 −33.73 55.24 15.00 207 ALA O −29.58 −34.86 55.66 15.00 208 ASN N −28.92 −32.98 54.65 15.00 208 ASN CA −27.58 −33.50 54.42 15.00 208 ASN CB −26.91 −32.79 53.25 15.00 208 ASN CG −27.23 −33.43 51.92 15.00 208 ASN OD1 −27.61 −34.59 51.86 15.00 208 ASN ND2 −27.06 −32.67 50.84 15.00 208 ASN C −26.68 −33.44 55.65 15.00 208 ASN O −25.80 −34.29 55.81 15.00 209 LEU N −26.91 −32.46 56.52 15.00 209 LEU CA −26.09 −32.29 57.72 15.00 209 LEU CB −24.96 −31.30 57.44 15.00 209 LEU CG −23.70 −31.44 58.30 15.00 209 LEU CD1 −22.81 −32.53 57.75 15.00 209 LEU CD2 −22.95 −30.12 58.33 15.00 209 LEU C −26.86 −31.91 58.99 15.00 209 LEU O −26.42 −31.04 59.74 15.00 210 ALA N −27.99 −32.56 59.23 15.00 210 ALA H −27.89 −32.43 58.64 15.00 210 ALA CA −28.78 −32.25 60.42 15.00 210 ALA CB −29.43 −31.67 60.51 15.00 210 ALA C −28.24 −33.03 61.63 15.00 210 ALA O −27.87 −34.20 61.51 15.00 211 SER N −28.17 −32.35 62.78 15.00 211 SER CA −27.71 −32.98 64.03 15.00 211 SER CB −26.19 −33.01 64.15 15.00 211 SER OG −25.65 −31.71 64.29 15.00 211 SER C −28.32 −32.28 65.24 15.00 211 SER O −28.93 −31.20 65.11 15.00 212 PHE N −28.18 −32.89 66.41 15.00 212 PHE CA −28.74 −32.30 67.61 15.00 212 PHE CB −30.25 −32.56 67.71 15.00 212 PHE CG −30.62 −34.00 67.79 15.00 212 PHE CD1 −31.04 −34.69 66.66 15.00 212 PHE CD2 −30.53 −34.69 69.00 15.00 212 PHE CE1 −31.36 −36.03 66.73 15.00 212 PHE CE2 −30.85 −36.04 69.07 15.00 212 PHE CZ −31.27 −36.71 67.94 15.00 212 PHE C −28.01 −32.78 68.87 15.00 212 PHE O −27.55 −33.94 68.95 15.00 213 PRO N −27.92 −31.91 69.88 15.00 213 PRO CD −28.60 −30.60 69.99 15.00 213 PRO CA −27.25 −32.25 71.13 15.00 213 PRO CB −27.11 −30.89 71.80 15.00 213 PRO CG −28.44 −30.26 71.47 15.00 213 PRO C −28.13 −33.17 71.96 15.00 213 PRO O −29.36 −33.23 71.79 15.00 214 LYS N −27.48 −33.94 72.82 15.00 214 LYS CA −28.19 −34.82 73.72 15.00 214 LYS CB −27.71 −36.27 73.59 15.00 214 LYS CG −27.91 −36.90 72.23 15.00 214 LYS CD −27.28 −38.29 72.16 15.00 214 LYS CE −25.79 −38.27 72.50 15.00 214 LYS NZ −25.11 −39.56 72.18 15.00 214 LYS C −27.84 −34.26 75.07 15.00 214 LYS O −26.76 −33.71 75.24 15.00 215 MET N −28.79 −34.27 75.99 15.00 215 MET CA −28.55 −33.78 77.34 15.00 215 MET CB −29.47 −32.60 77.70 15.00 215 MET CG −29.12 −31.30 76.96 15.00 215 MET SD −29.59 −29.73 77.80 15.00 215 MET CE −28.68 −28.54 76.81 15.00 215 MET C −28.66 −34.93 78.34 15.00 215 MET OT1 −27.81 −35.01 79.26 15.00 215 MET OT2 −29.54 −35.80 78.16 15.00 216 HOH OH2 −40.32 −20.86 90.40 15.00 217 HOH OH2 −20.71 −32.43 79.67 15.00 218 HOH OH2 −31.33 −16.38 65.47 15.00 219 HOH OH2 −29.76 −17.63 70.42 15.00 220 HOH OH2 −7.13 −18.39 66.48 15.00 221 HOH OH2 −15.45 −12.55 73.01 15.00 222 HOH OH2 −34.69 −23.23 69.94 15.00 223 HOH OH2 −11.03 −30.64 72.74 15.00 224 HOH OH2 −30.92 −18.33 68.20 15.00 225 HOH OH2 −24.49 −30.79 61.59 15.00 226 HOH OH2 −15.06 −10.95 61.61 15.00 227 HOH OH2 −14.14 −21.84 66.38 15.00 228 HOH OH2 −45.46 −29.94 49.49 15.00 229 HOH OH2 −45.53 −34.98 55.75 15.00 230 HOH OH2 −37.47 −12.36 67.54 15.00 231 HOH OH2 −32.59 −13.97 60.21 15.00 232 HOH OH2 −23.45 −33.51 51.76 15.00 233 HOH OH2 −9.95 −25.41 63.34 15.00 234 HOH OH2 −57.83 −31.91 39.28 15.00 235 HOH OH2 −30.05 −20.10 63.45 15.00 236 HOH OH2 −22.11 −29.91 61.97 15.00 237 HOH OH2 −26.54 −11.16 68.27 15.00 238 HOH OH2 −28.19 −16.14 71.94 15.00 239 HOH OH2 −26.07 −26.03 83.66 15.00 240 HOH OH2 −35.84 −27.16 51.26 15.00 241 HOH OH2 −35.66 −24.80 49.57 15.00 242 HOH OH2 −46.96 −32.65 56.91 15.00 243 HOH OH2 −25.39 −9.00 77.82 15.00 244 HOH OH2 −41.61 −14.85 64.38 15.00 245 HOH OH2 −18.39 −3.01 63.15 15.00 246 HOH OH2 −33.49 −28.51 70.47 15.00 247 HOH OH2 −48.24 −19.58 79.27 15.00 248 HOH OH2 −17.16 −11.08 74.86 15.00 249 HOH OH2 −7.77 −18.99 72.85 15.00 250 HOH OH2 −12.50 −24.63 81.88 15.00 251 HOH OH2 −28.11 −35.31 58.10 15.00 252 HOH OH2 −35.24 −11.03 53.39 15.00 253 HOH OH2 −31.85 −28.95 46.18 15.00 254 HOH OH2 −35.11 −24.97 46.75 15.00 255 HOH OH2 −42.46 −38.44 54.37 15.00 256 HOH OH2 −37.82 −16.40 67.58 15.00 257 HOH OH2 −43.11 −16.23 66.45 15.00 258 HOH OH2 −36.79 −9.70 73.69 15.00 259 HOH OH2 −34.92 −15.40 75.95 15.00 260 HOH OH2 −32.03 −7.39 60.30 15.00 261 HOH OH2 −19.94 −8.07 62.81 15.00 262 HOH OH2 −33.79 −20.76 69.68 15.00 263 HOH OH2 −33.86 −45.02 74.42 15.00 264 HOH OH2 −11.97 −27.02 71.08 15.00 265 HOH OH2 −8.26 −25.33 61.28 15.00 266 HOH OH2 −19.53 −42.28 58.81 15.00 267 HOH OH2 −20.68 −32.75 61.19 15.00 268 HOH OH2 −24.87 −33.89 60.62 15.00 269 HOH OH2 −2.83 −32.79 71.85 15.00 270 HOH OH2 −14.43 −40.52 59.53 15.00 271 HOH OH2 −21.46 −37.41 78.35 15.00 272 HOH OH2 −19.79 −36.03 71.33 15.00 273 HOH OH2 −28.57 −35.40 88.70 15.00 274 HOH OH2 −13.04 −12.02 63.26 15.00 275 HOH OH2 −8.63 −11.89 72.80 15.00 276 HOH OH2 −28.58 −30.13 56.41 15.00 277 HOH OH2 −29.86 −20.69 48.27 15.00 278 HOH OH2 −26.77 −22.94 44.37 15.00 279 HOH OH2 −25.17 −36.24 49.68 15.00 280 HOH OH2 −19.40 −31.57 49.99 15.00 281 HOH OH2 −34.95 −29.42 45.52 15.00 282 HOH OH2 −37.69 −30.43 50.51 15.00

TABLE VI Table of the orthogonal three dimensional coordinates in Angstroms and B factors (Å²) for the cathepsin K complex with inhibitor 2-[N-(3-benzyloxybenzoyl)]- 2′-[N′-(N-benzyloxycarbonyl-L- leucinyl)]carbohydrazide. Residue Atom X Y Z B 1 ALA CB −53.28 −28.69 64.46 15.00 1 ALA C −53.74 −30.77 63.13 15.00 1 ALA O −54.17 −31.71 63.79 15.00 1 ALA N −55.61 −29.36 63.92 15.00 1 ALA CA −54.20 −29.34 63.43 15.00 2 PRO N −52.92 −30.93 62.07 15.00 2 PRO CD −52.55 −29.87 61.11 15.00 2 PRO CA −52.38 −32.23 61.65 15.00 2 PRO CB −52.22 −32.03 60.15 15.00 2 PRO CG −51.68 −30.61 60.09 15.00 2 PRO C −51.02 −32.37 62.31 15.00 2 PRO O −50.88 −32.09 63.50 15.00 3 ASP N −50.02 −32.75 61.52 15.00 3 ASP CA −48.67 −32.92 62.02 15.00 3 ASP CB −47.96 −34.03 61.25 15.00 3 ASP CG −48.48 −35.41 61.59 15.00 3 ASP OD1 −49.68 −35.69 61.38 15.00 3 ASP OD2 −47.66 −36.24 62.06 15.00 3 ASP C −47.93 −31.60 61.84 15.00 3 ASP O −47.35 −31.34 60.78 15.00 4 SER N −48.02 −30.74 62.84 15.00 4 SER CA −47.34 −29.45 62.82 15.00 4 SER CB −48.32 −28.34 62.42 15.00 4 SER OG −48.91 −28.65 61.17 15.00 4 SER C −46.76 −29.17 64.20 15.00 4 SER O −47.33 −29.58 65.22 15.00 5 VAL N −45.60 −28.54 64.23 15.00 5 VAL CA −45.00 −28.20 65.51 15.00 5 VAL CB −44.16 −29.36 66.11 15.00 5 VAL CG1 −42.89 −29.57 65.35 15.00 5 VAL CG2 −43.87 −29.08 67.57 15.00 5 VAL C −44.21 −26.91 65.37 15.00 5 VAL O −43.46 −26.73 64.41 15.00 6 ASP N −44.48 −25.98 66.27 15.00 6 ASP CA −43.81 −24.70 66.29 15.00 6 ASP CB −44.76 −23.60 65.80 15.00 6 ASP CG −44.06 −22.25 65.59 15.00 6 ASP OD1 −42.88 −22.10 65.94 15.00 6 ASP OD2 −44.73 −21.33 65.08 15.00 6 ASP C −43.41 −24.48 67.75 15.00 6 ASP O −44.26 −24.33 68.63 15.00 7 TYR N −42.12 −24.54 68.00 15.00 7 TYR CA −41.60 −24.37 69.34 15.00 7 TYR CB −40.20 −24.96 69.42 15.00 7 TYR CG −40.23 −26.49 69.41 15.00 7 TYR CD1 −40.62 −27.20 70.55 15.00 7 TYR CE1 −40.66 −28.57 70.55 15.00 7 TYR CD2 −39.89 −27.21 68.27 15.00 7 TYR CE2 −39.94 −28.60 68.26 15.00 7 TYR CZ −40.32 −29.27 69.41 15.00 7 TYR OH −40.40 −30.63 69.42 15.00 7 TYR C −41.64 −22.94 69.83 15.00 7 TYR O −41.52 −22.68 71.03 15.00 8 ARG N −41.85 −22.01 68.90 15.00 8 ARG CA −41.91 −20.58 69.22 15.00 8 ARG CB −42.07 −19.74 67.95 15.00 8 ARG CG −40.84 −19.78 67.04 15.00 8 ARG CD −41.01 −18.96 65.78 15.00 8 ARG NE −41.97 −19.57 64.86 15.00 8 ARG CZ −42.43 −18.97 63.77 15.00 8 ARG NH1 −42.03 −17.75 63.46 15.00 8 ARG NH2 −43.30 −19.60 62.98 15.00 8 ARG C −43.09 −20.36 70.15 15.00 8 ARG O −42.95 −19.71 71.18 15.00 9 LYS N −44.23 −20.95 69.82 15.00 9 LYS CA −45.41 −20.80 70.64 15.00 9 LYS CB −46.59 −21.48 69.96 15.00 9 LYS CG −46.93 −20.90 68.60 15.00 9 LYS CD −47.74 −21.89 67.79 15.00 9 LYS CE −48.07 −21.38 66.41 15.00 9 LYS NZ −48.46 −22.50 65.49 15.00 9 LYS C −45.16 −21.46 71.99 15.00 9 LYS O −45.70 −21.01 73.01 15.00 10 LYS N −44.29 −22.46 71.99 15.00 10 LYS CA −43.94 −23.25 73.18 15.00 10 LYS CB −43.34 −24.60 72.77 15.00 10 LYS CG −44.19 −25.43 71.81 15.00 10 LYS CD −45.03 −26.48 72.52 15.00 10 LYS CE −46.23 −25.86 73.25 15.00 10 LYS NZ −47.28 −25.31 72.33 15.00 10 LYS C −42.97 −22.59 74.15 15.00 10 LYS O −42.91 −22.97 75.32 15.00 11 GLY N −42.15 −21.66 73.67 15.00 11 GLY CA −41.20 −21.02 74.57 15.00 11 GLY C −39.83 −21.68 74.55 15.00 11 GLY O −39.00 −21.42 75.42 15.00 12 TYR N −39.57 −22.49 73.53 15.00 12 TYR CA −38.29 −23.18 73.39 15.00 12 TYR CB −38.48 −24.53 72.68 15.00 12 TYR CG −39.09 −25.67 73.49 15.00 12 TYR CD1 −40.24 −25.49 74.27 15.00 12 TYR CE1 −40.82 −26.55 74.95 15.00 12 TYR CD2 −38.55 −26.95 73.42 15.00 12 TYR CE2 −39.13 −28.01 74.09 15.00 12 TYR CZ −40.26 −27.81 74.85 15.00 12 TYR OH −40.86 −28.88 75.47 15.00 12 TYR C −37.31 −22.37 72.55 15.00 12 TYR O −36.15 −22.73 72.44 15.00 13 VAL N −37.78 −21.29 71.94 15.00 13 VAL CA −36.94 −20.46 71.07 15.00 13 VAL CB −37.56 −20.37 69.65 15.00 13 VAL CG1 −36.60 −19.70 68.68 15.00 13 VAL CG2 −37.91 −21.76 69.16 15.00 13 VAL C −36.75 −19.06 71.62 15.00 13 VAL O −37.70 −18.41 72.02 15.00 14 THR N −35.51 −18.61 71.66 15.00 14 THR CA −35.21 −17.27 72.15 15.00 14 THR CB −33.80 −17.21 72.74 15.00 14 THR OG1 −32.85 −17.58 71.74 15.00 14 THR CG2 −33.69 −18.13 73.92 15.00 14 THR C −35.31 −16.23 71.02 15.00 14 THR O −35.46 −16.59 69.85 15.00 15 PRO N −35.25 −14.94 71.35 15.00 15 PRO CD −35.15 −14.35 72.71 15.00 15 PRO CA −35.34 −13.89 70.34 15.00 15 PRO CB −35.15 −12.62 71.16 15.00 15 PRO CG −35.72 −12.99 72.50 15.00 15 PRO C −34.26 −14.00 69.25 15.00 15 PRO O −33.13 −14.41 69.53 15.00 16 VAL N −34.61 −13.62 68.02 15.00 16 VAL CA −33.69 −13.67 66.89 15.00 16 VAL CB −34.39 −13.43 65.54 15.00 16 VAL CG1 −33.36 −13.27 64.43 15.00 16 VAL CG2 −35.29 −14.58 65.20 15.00 16 VAL C −32.56 −12.66 67.05 15.00 16 VAL O −32.79 −11.47 67.28 15.00 17 LYS N −31.34 −13.17 66.92 15.00 17 LYS CA −30.15 −12.36 67.04 15.00 17 LYS CB −29.13 −13.09 67.91 15.00 17 LYS CG −29.67 −13.49 69.27 15.00 17 LYS CD −30.28 −12.30 69.96 15.00 17 LYS CE −30.93 −12.65 71.28 15.00 17 LYS NZ −31.68 −11.47 71.83 15.00 17 LYS C −29.58 −12.08 65.65 15.00 17 LYS O −30.13 −12.52 64.64 15.00 18 ASN N −28.48 −11.33 65.60 15.00 18 ASN CA −27.82 −10.98 64.34 15.00 18 ASN CB −28.02 −9.49 64.05 15.00 18 ASN CG −27.42 −9.05 62.72 15.00 18 ASN OD1 −26.35 −9.49 62.32 15.00 18 ASN ND2 −28.11 −8.15 62.03 15.00 18 ASN C −26.32 −11.27 64.49 15.00 18 ASN O −25.67 −10.71 65.37 15.00 19 GLN N −25.79 −12.14 63.63 15.00 19 GLN CA −24.38 −12.49 63.68 15.00 19 GLN CB −24.08 −13.76 62.87 15.00 19 GLN CG −24.55 −13.74 61.41 15.00 19 GLN CD −24.19 −15.02 60.65 15.00 19 GLN OE1 −25.06 −15.85 60.37 15.00 19 GLN NE2 −22.92 −15.16 60.28 15.00 19 GLN C −23.43 −11.34 63.29 15.00 19 GLN O −22.26 −11.34 63.67 15.00 20 GLY N −23.92 −10.39 62.50 15.00 20 GLY CA −23.11 −9.25 62.11 15.00 20 GLY C −22.23 −9.49 60.91 15.00 20 GLY O −22.71 −9.92 59.87 15.00 21 GLN N −20.96 −9.14 61.02 15.00 21 GLN CA −20.02 −9.34 59.92 15.00 21 GLN CB −19.11 −8.11 59.75 15.00 21 GLN CG −19.78 −6.87 59.13 15.00 21 GLN CD −20.32 −7.11 57.72 15.00 21 GLN OE1 −19.57 −7.44 56.79 15.00 21 GLN NE2 −21.62 −6.95 57.55 15.00 21 GLN C −19.18 −10.59 60.17 15.00 21 GLN O −18.39 −11.01 59.33 15.00 22 CYS N −19.34 −11.17 61.36 15.00 22 CYS CA −18.63 −12.38 61.75 15.00 22 CYS C −19.40 −13.60 61.22 15.00 22 CYS O −20.64 −13.58 61.15 15.00 22 CYS CB −18.52 −12.41 63.27 15.00 22 CYS SG −17.94 −13.95 64.05 15.00 23 GLY N −18.68 −14.63 60.78 15.00 23 GLY CA −19.32 −15.82 60.25 15.00 23 GLY C −19.52 −16.87 61.32 15.00 23 GLY O −19.06 −18.00 61.18 15.00 24 SER N −20.24 −16.49 62.37 15.00 24 SER CA −20.52 −17.34 63.52 15.00 24 SER CB −20.42 −16.49 64.77 15.00 24 SER OG −21.27 −15.36 64.65 15.00 24 SER C −21.92 −17.95 63.44 15.00 24 SER O −22.54 −18.24 64.47 15.00 25 CYS N −22.40 −18.17 62.23 15.00 25 CYS CA −23.72 −18.75 62.04 15.00 25 CYS CB −24.08 −18.74 60.55 15.00 25 CYS SG −23.06 −19.79 59.52 15.00 25 CYS C −23.81 −20.15 62.66 15.00 25 CYS O −24.90 −20.59 63.05 15.00 25 INH C1 −27.01 −9.79 58.47 15.00 25 INH C2 −26.33 −10.46 59.49 15.00 25 INH C3 −25.12 −11.10 59.22 15.00 25 INH C4 −24.57 −11.08 57.94 15.00 25 INH C5 −25.26 −10.40 56.92 15.00 25 INH C6 −26.47 −9.76 57.18 15.00 25 INH C7 −23.25 −11.75 57.65 15.00 25 INH O8 −23.16 −13.18 57.51 15.00 25 INH C9 −22.82 −13.83 56.29 15.00 25 INH C10 −22.10 −13.30 55.22 15.00 25 INH C11 −23.03 −15.93 55.08 15.00 25 INH C12 −22.32 −15.39 54.01 15.00 25 INH C13 −21.85 −14.07 54.07 15.00 25 INH C14 −23.54 −17.29 55.29 15.00 25 INH O15 −24.49 −17.82 54.70 15.00 25 INH N16 −22.71 −17.77 56.29 15.00 25 INH N17 −22.76 −19.07 56.92 15.00 25 INH C18 −23.27 −15.13 56.20 15.00 25 INH C19 −22.05 −19.01 58.26 15.00 25 INH O20 −21.78 −17.83 58.57 15.00 25 INH C21 −21.27 −30.33 52.84 15.00 25 INH C22 −20.95 −30.49 54.19 15.00 25 INH C23 −20.34 −29.44 54.89 15.00 25 INH C24 −20.03 −28.23 54.25 15.00 25 INH C25 −20.35 −28.09 52.90 15.00 25 INH C26 −20.96 −29.12 52.19 15.00 25 INH C27 −19.35 −27.11 55.01 15.00 25 INH O28 −20.01 −25.85 55.20 15.00 25 INH C29 −20.09 −25.30 56.50 15.00 25 INH O30 −19.34 −25.70 57.40 15.00 25 INH C31 −21.28 −23.64 57.93 15.00 25 INH C32 −21.14 −24.56 59.14 15.00 25 INH C33 −22.16 −25.68 59.35 15.00 25 INH C34 −23.25 −25.62 58.28 15.00 25 INH C35 −21.45 −27.01 59.33 15.00 25 INH C36 −20.52 −22.34 58.22 15.00 25 INH O37 −19.37 −22.35 58.66 15.00 25 INH N38 −21.23 −21.24 57.98 15.00 25 INH N39 −20.81 −19.86 58.17 15.00 25 INH N40 −21.01 −24.34 56.66 15.00 26 TRP N −22.67 −20.83 62.82 15.00 26 TRP CA −22.65 −22.16 63.44 15.00 26 TRP CB −21.35 −22.91 63.12 15.00 26 TRP CG −20.11 −22.22 63.59 15.00 26 TRP CD2 −19.48 −22.37 64.87 15.00 26 TRP CE2 −18.42 −21.44 64.92 15.00 26 TRP CE3 −19.71 −23.18 65.98 15.00 26 TRP CD1 −19.41 −21.27 62.93 15.00 26 TRP NE1 −18.40 −20.78 63.72 15.00 26 TRP CZ2 −17.59 −21.30 66.03 15.00 26 TRP CZ3 −18.88 −23.05 67.10 15.00 26 TRP CH2 −17.84 −22.11 67.11 15.00 26 TRP C −22.85 −22.06 64.96 15.00 26 TRP O −23.57 −22.86 65.55 15.00 27 ALA N −22.24 −21.04 65.57 15.00 27 ALA CA −22.33 −20.83 67.01 15.00 27 ALA CB −21.35 −19.78 67.46 15.00 27 ALA C −23.74 −20.47 67.45 15.00 27 ALA O −24.21 −20.91 68.50 15.00 28 PHE N −24.42 −19.66 66.66 15.00 28 PHE CA −25.79 −19.27 66.96 15.00 28 PHE CB −26.23 −18.10 66.07 15.00 28 PHE CG −25.67 −16.77 66.49 15.00 28 PHE CD1 −24.46 −16.32 65.99 15.00 28 PHE CD2 −26.35 −15.98 67.42 15.00 28 PHE CE1 −23.92 −15.11 66.41 15.00 28 PHE CE2 −25.81 −14.78 67.84 15.00 28 PHE CZ −24.60 −14.35 67.34 15.00 28 PHE C −26.74 −20.47 66.82 15.00 28 PHE O −27.62 −20.68 67.66 15.00 29 SER N −26.56 −21.25 65.78 15.00 29 SER CA −27.40 −22.41 65.55 15.00 29 SER CB −27.05 −23.08 64.23 15.00 29 SER OG −27.68 −24.35 64.15 15.00 29 SER C −27.28 −23.44 66.66 15.00 29 SER O −28.27 −24.06 67.03 15.00 30 SER N −26.06 −23.65 67.16 15.00 30 SER CA −25.79 −24.61 68.22 15.00 30 SER CB −24.29 −24.72 68.44 15.00 30 SER OG −23.64 −25.04 67.22 15.00 30 SER C −26.44 −24.15 69.51 15.00 30 SER O −27.07 −24.93 70.25 15.00 31 VAL N −26.25 −22.87 69.80 15.00 31 VAL CA −26.81 −22.23 70.98 15.00 31 VAL CB −26.39 −20.75 71.00 15.00 31 VAL CG1 −27.52 −19.85 71.44 15.00 31 VAL CG2 −25.18 −20.58 71.92 15.00 31 VAL C −28.32 −22.41 70.92 15.00 31 VAL O −28.95 −22.72 71.94 15.00 32 GLY N −28.89 −22.27 69.73 15.00 32 GLY CA −30.32 −22.44 69.56 15.00 32 GLY C −30.76 −23.83 69.97 15.00 32 GLY O −31.77 −24.00 70.65 15.00 33 ALA N −30.00 −24.83 69.55 15.00 33 ALA CA −30.28 −26.21 69.89 15.00 33 ALA CB −29.29 −27.14 69.22 15.00 33 ALA C −30.20 −26.34 71.42 15.00 33 ALA O −31.19 −26.70 72.06 15.00 34 LEU N −29.06 −25.98 71.99 15.00 34 LEU CA −28.87 −26.06 73.44 15.00 34 LEU CB −27.55 −25.42 73.85 15.00 34 LEU CG −26.25 −26.10 73.41 15.00 34 LEU CD1 −25.07 −25.21 73.74 15.00 34 LEU CD2 −26.11 −27.45 74.08 15.00 34 LEU C −30.02 −25.41 74.21 15.00 34 LEU O −30.59 −26.01 75.13 15.00 35 GLU N −30.39 −24.20 73.80 15.00 35 GLU CA −31.46 −23.44 74.44 15.00 35 GLU CB −31.63 −22.08 73.77 15.00 35 GLU CG −30.41 −21.18 73.87 15.00 35 GLU CD −30.58 −19.86 73.15 15.00 35 GLU OE1 −31.46 −19.76 72.27 15.00 35 GLU OE2 −29.83 −18.92 73.46 15.00 35 GLU C −32.79 −24.17 74.42 15.00 35 GLU O −33.51 −24.18 75.42 15.00 36 GLY N −33.11 −24.77 73.27 15.00 36 GLY CA −34.35 −25.52 73.13 15.00 36 GLY C −34.42 −26.67 74.11 15.00 36 GLY O −35.48 −26.98 74.65 15.00 37 GLN N −33.28 −27.30 74.37 15.00 37 GLN CA −33.21 −28.42 75.29 15.00 37 GLN CB −31.94 −29.22 75.05 15.00 37 GLN CG −32.00 −30.06 73.80 15.00 37 GLN CD −33.19 −31.00 73.80 15.00 37 GLN OE1 −33.32 −31.84 74.69 15.00 37 GLN NE2 −34.07 −30.83 72.84 15.00 37 GLN C −33.28 −27.96 76.74 15.00 37 GLN O −33.94 −28.58 77.58 15.00 38 LEU N −32.64 −26.83 77.01 15.00 38 LEU CA −32.62 −26.25 78.35 15.00 38 LEU CB −31.77 −24.98 78.37 15.00 38 LEU CG −31.54 −24.37 79.75 15.00 38 LEU CD1 −30.73 −25.34 80.61 15.00 38 LEU CD2 −30.82 −23.05 79.63 15.00 38 LEU C −34.04 −25.95 78.83 15.00 38 LEU O −34.31 −25.95 80.02 15.00 39 LYS N −34.94 −25.65 77.90 15.00 39 LYS CA −36.32 −25.38 78.26 15.00 39 LYS CB −37.04 −24.66 77.12 15.00 39 LYS CG −38.53 −24.45 77.32 15.00 39 LYS CD −38.85 −23.47 78.43 15.00 39 LYS CE −40.35 −23.46 78.70 15.00 39 LYS NZ −40.71 −22.74 79.94 15.00 39 LYS C −36.98 −26.72 78.54 15.00 39 LYS O −37.63 −26.90 79.57 15.00 40 LYS N −36.73 −27.68 77.65 15.00 40 LYS CA −37.28 −29.03 77.72 15.00 40 LYS CB −36.61 −29.90 76.66 15.00 40 LYS CG −37.25 −31.25 76.41 15.00 40 LYS CD −38.51 −31.10 75.61 15.00 40 LYS CE −39.15 −32.44 75.34 15.00 40 LYS NZ −38.32 −33.29 74.44 15.00 40 LYS C −37.07 −29.66 79.08 15.00 40 LYS O −37.99 −30.28 79.63 15.00 41 LYS N −35.87 −29.50 79.64 15.00 41 LYS CA −35.54 −30.10 80.93 15.00 41 LYS CB −34.07 −30.55 80.94 15.00 41 LYS CG −33.59 −31.28 79.68 15.00 41 LYS CD −34.50 −32.44 79.28 15.00 41 LYS CE −34.05 −33.08 77.96 15.00 41 LYS NZ −35.06 −34.05 77.42 15.00 41 LYS C −35.79 −29.20 82.14 15.00 41 LYS O −36.48 −29.59 83.09 15.00 42 THR N −35.20 −28.01 82.11 15.00 42 THR CA −35.30 −27.03 83.19 15.00 42 THR CB −34.20 −25.98 82.99 15.00 42 THR OG1 −32.95 −26.64 82.85 15.00 42 THR CG2 −34.13 −25.03 84.17 15.00 42 THR C −36.64 −26.32 83.38 15.00 42 THR O −36.96 −25.86 84.48 15.00 43 GLY N −37.43 −26.23 82.31 15.00 43 GLY CA −38.70 −25.53 82.38 15.00 43 GLY C −38.52 −24.01 82.29 15.00 43 GLY O −39.48 −23.25 82.34 15.00 44 LYS N −37.27 −23.57 82.16 15.00 44 LYS CA −36.94 −22.15 82.05 15.00 44 LYS CB −36.25 −21.65 83.33 15.00 44 LYS CG −37.19 −21.45 84.50 15.00 44 LYS CD −36.45 −21.05 85.78 15.00 44 LYS CE −35.71 −22.21 86.39 15.00 44 LYS NZ −36.62 −23.38 86.62 15.00 44 LYS C −35.98 −21.98 80.87 15.00 44 LYS O −35.10 −22.82 80.66 15.00 45 LEU N −36.17 −20.92 80.10 15.00 45 LEU CA −35.33 −20.65 78.93 15.00 45 LEU CB −36.23 −20.21 77.77 15.00 45 LEU CG −35.64 −20.07 76.38 15.00 45 LEU CD1 −35.28 −21.42 75.82 15.00 45 LEU CD2 −36.67 −19.42 75.52 15.00 45 LEU C −34.33 −19.56 79.25 15.00 45 LEU O −34.59 −18.70 80.09 15.00 46 LEU N −33.18 −19.57 78.58 15.00 46 LEU CA −32.16 −18.56 78.80 15.00 46 LEU CB −31.30 −18.93 80.01 15.00 46 LEU CG −30.51 −17.78 80.61 15.00 46 LEU CD1 −31.46 −16.70 81.06 15.00 46 LEU CD2 −29.69 −18.27 81.78 15.00 46 LEU C −31.27 −18.40 77.56 15.00 46 LEU O −31.02 −19.36 76.85 15.00 47 ASN N −30.83 −17.17 77.29 15.00 47 ASN CA −29.98 −16.89 76.13 15.00 47 ASN CB −29.92 −15.38 75.84 15.00 47 ASN CG −31.27 −14.80 75.53 15.00 47 ASN OD1 −31.93 −14.22 76.41 15.00 47 ASN ND2 −31.71 −14.94 74.29 15.00 47 ASN C −28.57 −17.36 76.39 15.00 47 ASN O −27.91 −16.86 77.30 15.00 48 LEU N −28.10 −18.32 75.61 15.00 48 LEU CA −26.75 −18.84 75.78 15.00 48 LEU CB −26.70 −20.31 75.39 15.00 48 LEU CG −27.60 −21.19 76.26 15.00 48 LEU CD1 −27.18 −22.64 76.10 15.00 48 LEU CD2 −27.50 −20.77 77.73 15.00 48 LEU C −25.77 −18.04 74.98 15.00 48 LEU O −26.14 −17.34 74.04 15.00 49 SER N −24.50 −18.13 75.34 15.00 49 SER CA −23.47 −17.36 74.67 15.00 49 SER CB −22.34 −17.06 75.64 15.00 49 SER OG −21.34 −16.25 75.03 15.00 49 SER C −22.89 −17.98 73.40 15.00 49 SER O −22.29 −19.06 73.45 15.00 50 PRO N −23.07 −17.31 72.24 15.00 50 PRO CD −24.05 −16.24 72.05 15.00 50 PRO CA −22.55 −17.77 70.95 15.00 50 PRO CB −23.37 −16.96 69.95 15.00 50 PRO CG −24.61 −16.59 70.71 15.00 50 PRO C −21.09 −17.37 70.86 15.00 50 PRO O −20.29 −18.01 70.19 15.00 51 GLN N −20.74 −16.27 71.52 15.00 51 GLN CA −19.37 −15.78 71.56 15.00 51 GLN CB −19.30 −14.45 72.33 15.00 51 GLN CG −17.93 −13.77 72.34 15.00 51 GLN CD −17.55 −13.17 71.00 15.00 51 GLN OE1 −18.39 −12.57 70.31 15.00 51 GLN NE2 −16.29 −13.29 70.64 15.00 51 GLN C −18.53 −16.82 72.26 15.00 51 GLN O −17.45 −17.17 71.80 15.00 52 ASN N −19.03 −17.33 73.38 15.00 52 ASN CA −18.30 −18.34 74.14 15.00 52 ASN CB −19.20 −18.91 75.24 15.00 52 ASN CG −18.51 −19.98 76.10 15.00 52 ASN OD1 −19.13 −20.54 76.99 15.00 52 ASN ND2 −17.23 −20.22 75.86 15.00 52 ASN C −17.86 −19.45 73.19 15.00 52 ASN O −16.70 −19.87 73.22 15.00 53 LEU N −18.76 −19.88 72.32 15.00 53 LEU CA −18.42 −20.92 71.38 15.00 53 LEU CB −19.66 −21.39 70.63 15.00 53 LEU CG −20.68 −22.14 71.49 15.00 53 LEU CD1 −21.63 −22.88 70.59 15.00 53 LEU CD2 −19.98 −23.13 72.38 15.00 53 LEU C −17.35 −20.41 70.42 15.00 53 LEU O −16.28 −21.02 70.31 15.00 54 VAL N −17.61 −19.27 69.79 15.00 54 VAL CA −16.68 −18.63 68.86 15.00 54 VAL CB −17.16 −17.18 68.52 15.00 54 VAL CG1 −16.02 −16.35 67.96 15.00 54 VAL CG2 −18.31 −17.21 67.54 15.00 54 VAL C −15.24 −18.57 69.37 15.00 54 VAL O −14.31 −18.91 68.66 15.00 55 ASP N −15.07 −18.14 70.61 15.00 55 ASP CA −13.75 −18.00 71.21 15.00 55 ASP CB −13.78 −16.96 72.33 15.00 55 ASP CG −14.29 −15.61 71.87 15.00 55 ASP OD1 −14.16 −15.30 70.67 15.00 55 ASP OD2 −14.79 −14.85 72.72 15.00 55 ASP C −13.10 −19.26 71.77 15.00 55 ASP O −11.88 −19.33 71.86 15.00 56 CYS N −13.89 −20.25 72.17 15.00 56 CYS CA −13.31 −21.45 72.77 15.00 56 CYS C −13.25 −22.75 71.96 15.00 56 CYS O −12.44 −23.62 72.27 15.00 56 CYS CB −13.98 −21.73 74.11 15.00 56 CYS SG −14.30 −20.24 75.11 15.00 57 VAL N −14.09 −22.89 70.94 15.00 57 VAL CA −14.08 −24.13 70.16 15.00 57 VAL CB −15.43 −24.34 69.42 15.00 57 VAL CG1 −15.47 −25.73 68.80 15.00 57 VAL CG2 −16.59 −24.17 70.38 15.00 57 VAL C −12.91 −24.19 69.18 15.00 57 VAL O −13.08 −24.04 67.98 15.00 58 SER N −11.71 −24.46 69.70 15.00 58 SER CA −10.50 −24.55 68.89 15.00 58 SER CB −9.34 −25.09 69.72 15.00 58 SER OG −9.08 −24.27 70.85 15.00 58 SER C −10.61 −25.37 67.62 15.00 58 SER O −9.84 −25.18 66.70 15.00 59 GLU N −11.57 −26.29 67.56 15.00 59 GLU CA −11.71 −27.13 66.38 15.0b 59 GLU CB −12.49 −28.41 66.73 15.00 59 GLU CG −11.81 −29.30 67.75 15.00 59 GLU CD −11.90 −28.75 69.16 15.00 59 GLU OE1 −12.96 −28.18 69.51 15.00 59 GLU OE2 −10.92 −28.91 69.91 15.00 59 GLU C −12.39 −26.41 65.23 15.00 59 GLU O −12.46 −26.91 64.11 15.00 60 ASN N −12.93 −25.24 65.53 15.00 60 ASN CA −13.61 −24.41 64.53 15.00 60 ASN CB −14.99 −24.01 65.03 15.00 60 ASN CG −15.97 −25.16 65.02 15.00 60 ASN OD1 −17.03 −25.09 65.63 15.00 60 ASN ND2 −15.62 −26.23 64.31 15.00 60 ASN C −12.75 −23.19 64.27 15.00 60 ASN O −11.79 −22.94 64.98 15.00 61 ASP N −13.12 −22.41 63.25 15.00 61 ASP CA −12.36 −21.23 62.88 15.00 61 ASP CB −12.21 −21.20 61.35 15.00 61 ASP CG −10.99 −20.43 60.90 15.00 61 ASP OD1 −10.38 −19.70 61.71 15.00 61 ASP OD2 −10.63 −20.55 59.71 15.00 61 ASP C −12.92 −19.89 63.39 15.00 61 ASP O −12.71 −18.86 62.76 15.00 62 GLY N −13.61 −19.89 64.52 15.00 62 GLY CA −14.16 −18.66 65.06 15.00 62 GLY C −15.11 −17.97 64.10 15.00 62 GLY O −16.17 −18.50 63.79 15.00 63 CYS N −14.73 −16.79 63.62 15.00 63 CYS CA −15.56 −16.06 62.67 15.00 63 CYS C −15.39 −16.55 61.24 15.00 63 CYS O −16.01 −16.03 60.31 15.00 63 CYS CB −15.28 −14.56 62.73 15.00 63 CYS SG −15.94 −13.72 64.20 15.00 64 GLY N −14.52 −17.54 61.06 15.00 64 GLY CA −14.28 −18.09 59.74 15.00 64 GLY C −15.24 −19.23 59.47 15.00 64 GLY O −15.42 −19.63 58.32 15.00 65 GLY N −15.85 −19.77 60.52 15.00 65 GLY CA −16.79 −20.86 60.33 15.00 65 GLY C −16.54 −22.03 61.25 15.00 65 GLY O −15.56 −22.04 62.00 15.00 66 GLY N −17.42 −23.02 61.19 15.00 66 GLY CA −17.29 −24.19 62.03 15.00 66 GLY C −18.50 −25.10 61.96 15.00 66 GLY O −19.48 −24.76 61.32 15.00 67 TYR N −18.43 −26.25 62.62 15.00 67 TYR CA −19.53 −27.20 62.62 15.00 67 TYR CB −19.02 −28.60 62.32 15.00 67 TYR CG −18.35 −28.77 60.99 15.00 67 TYR CD1 −19.08 −29.16 59.86 15.00 67 TYR CE1 −18.46 −29.38 58.65 15.00 67 TYR CD2 −16.98 −28.59 60.86 15.00 67 TYR CE2 −16.36 −28.81 59.65 15.00 67 TYR CZ −17.10 −29.20 58.55 15.00 67 TYR OH −16.46 −29.41 57.35 15.00 67 TYR C −20.23 −27.22 63.97 15.00 67 TYR O −19.59 −27.04 65.00 15.00 68 MET N −21.52 −27.51 63.96 15.00 68 MET CA −22.31 −27.57 65.19 15.00 68 MET CB −23.81 −27.69 64.91 15.00 68 MET CG −24.46 −26.48 64.23 15.00 68 MET SD −24.10 −26.27 62.47 15.00 68 MET CE −25.07 −27.56 61.75 15.00 68 MET C −21.86 −28.72 66.09 15.00 68 MET O −21.76 −28.56 67.30 15.00 69 THR N −21.54 −29.86 65.49 15.00 69 THR CA −21.10 −31.02 66.26 15.00 69 THR CB −20.78 −32.22 65.35 15.00 69 THR OG1 −20.01 −31.77 64.24 15.00 69 THR CG2 −22.06 −32.86 64.85 15.00 69 THR C −19.88 −30.71 67.11 15.00 69 THR O −19.77 −31.19 68.25 15.00 70 ASN N −18.97 −29.89 66.59 15.00 70 ASN CA −17.77 −29.52 67.33 15.00 70 ASN CB −16.79 −28.76 66.46 15.00 70 ASN CG −15.98 −29.65 65.58 15.00 70 ASN OD1 −15.42 −29.19 64.60 15.00 70 ASN ND2 −15.89 −30.93 65.92 15.00 70 ASN C −18.11 −28.66 68.55 15.00 70 ASN O −17.46 −28.77 69.59 15.00 71 ALA N −19.12 −27.80 68.40 15.00 71 ALA CA −19.57 −26.91 69.47 15.00 71 ALA CB −20.58 −25.91 68.94 15.00 71 ALA C −20.15 −27.71 70.63 15.00 71 ALA O −19.80 −27.50 71.78 15.00 72 PHE N −21.03 −28.66 70.31 15.00 72 PHE CA −21.64 −29.51 71.33 15.00 72 PHE CB −22.57 −30.54 70.69 15.00 72 PHE CG −23.72 −29.93 69.96 15.00 72 PHE CD1 −24.28 −28.73 70.39 15.00 72 PHE CD2 −24.24 −30.55 68.84 15.00 72 PHE CE1 −25.33 −28.16 69.70 15.00 72 PHE CE2 −25.30 −29.98 68.15 15.00 72 PHE CZ −25.84 −28.78 68.58 15.00 72 PHE C −20.53 −30.25 72.07 15.00 72 PHE O −20.43 −30.18 73.31 15.00 73 GLN N −19.67 −30.90 71.31 15.00 73 GLN CA −18.56 −31.66 71.86 15.00 73 GLN CB −17.68 −32.20 70.72 15.00 73 GLN CG −16.78 −33.40 71.09 15.00 73 GLN CD −17.54 −34.73 71.21 15.00 73 GLN OE1 −17.47 −35.58 70.31 15.00 73 GLN NE2 −18.21 −34.94 72.35 15.00 73 GLN C −17.76 −30.78 72.84 15.00 73 GLN O −17.33 −31.25 73.89 15.00 74 TYR N −17.62 −29.50 72.53 15.00 74 TYR CA −16.89 −28.59 73.40 15.00 74 TYR CB −16.70 −27.22 72.75 15.00 74 TYR CG −16.35 −26.13 73.74 15.00 74 TYR CD1 −15.09 −26.05 74.30 15.00 74 TYR CE1 −14.77 −25.07 75.22 15.00 74 TYR CD2 −17.30 −25.18 74.12 15.00 74 TYR CE2 −17.00 −24.19 75.04 15.00 74 TYR CZ −15.73 −24.14 75.59 15.00 74 TYR OH −15.42 −23.15 76.51 15.00 74 TYR C −17.58 −28.38 74.73 15.00 74 TYR O −16.93 −28.39 75.78 15.00 75 VAL N −18.88 −28.12 74.67 15.00 75 VAL CA −19.68 −27.89 75.88 15.00 75 VAL CB −21.15 −27.58 75.52 15.00 75 VAL CG1 −21.95 −27.27 76.78 15.00 75 VAL CG2 −21.22 −26.39 74.55 15.00 75 VAL C −19.62 −29.10 76.80 15.00 75 VAL O −19.60 −28.96 78.03 15.00 76 GLN N −19.59 −30.29 76.21 15.00 76 GLN CA −19.51 −31.51 76.98 15.00 76 GLN CB −19.75 −32.69 76.05 15.00 76 GLN CG −19.79 −34.05 76.69 15.00 76 GLN CD −19.56 −35.13 75.66 15.00 76 GLN OE1 −20.03 −35.04 74.53 15.00 76 GLN NE2 −18.78 −36.13 76.03 15.00 76 GLN C −18.14 −31.60 77.64 15.00 76 GLN O −18.03 −31.59 78.86 15.00 77 LYS N −17.08 −31.61 76.84 15.00 77 LYS CA −15.72 −31.70 77.36 15.00 77 LYS CB −14.70 −31.55 76.22 15.00 77 LYS CG −13.27 −31.34 76.69 15.00 77 LYS CD −12.32 −31.10 75.51 15.00 77 LYS CE −10.89 −30.81 75.97 15.00 77 LYS NZ −10.30 −31.95 76.76 15.00 77 LYS C −15.45 −30.64 78.42 15.00 77 LYS O −14.81 −30.91 79.45 15.00 78 ASN N −15.92 −29.42 78.17 15.00 78 ASN CA −15.74 −28.29 79.06 15.00 78 ASN CB −15.98 −27.00 78.28 15.00 78 ASN CG −15.69 −25.76 79.10 15.00 78 ASN OD1 −14.58 −25.59 79.62 15.00 78 ASN ND2 −16.67 −24.87 79.19 15.00 78 ASN C −16.68 −28.34 80.25 15.00 78 ASN O −16.42 −27.72 81.28 15.00 79 ARG N −17.79 −29.06 80.11 15.00 79 ARG CA −18.78 −29.18 81.16 15.00 79 ARG CB −18.14 −29.76 82.43 15.00 79 ARG CG −17.67 −31.20 82.26 15.00 79 ARG CD −16.65 −31.59 83.33 15.00 79 ARG NE −17.15 −31.38 84.68 15.00 79 ARG CZ −18.16 −32.06 85.22 15.00 79 ARG NH1 −18.78 −33.03 84.55 15.00 79 ARG NH2 −18.62 −31.70 86.43 15.00 79 ARG C −19.45 −27.84 81.45 15.00 79 ARG O −19.31 −27.30 82.55 15.00 80 GLY N −20.13 −27.28 80.45 15.00 80 GLY CA −20.82 −26.02 80.66 15.00 80 GLY C −20.62 −24.91 79.64 15.00 80 GLY O −19.56 −24.82 79.00 15.00 81 ILE N −21.64 −24.08 79.48 15.00 81 ILE CA −21.59 −22.95 78.57 15.00 81 ILE CB −22.30 −23.23 77.22 15.00 81 ILE CG2 −23.77 −23.52 77.45 15.00 81 ILE CG1 −22.10 −22.05 76.27 15.00 81 ILE CD1 −22.84 −22.16 74.96 15.00 81 ILE C −22.24 −21.75 79.25 15.00 81 ILE O −23.28 −21.89 79.90 15.00 82 ASP N −21.61 −20.59 79.11 15.00 82 ASP CA −22.11 −19.37 79.71 15.00 82 ASP CB −21.03 −18.29 79.64 15.00 82 ASP CG −19.90 −18.53 80.58 15.00 82 ASP OD1 −18.82 −17.98 80.34 15.00 82 ASP OD2 −20.09 −19.26 81.58 15.00 82 ASP C −23.36 −18.81 79.09 15.00 82 ASP O −23.69 −19.07 77.93 15.00 83 SER N −24.07 −18.02 79.89 15.00 83 SER CA −25.27 −17.36 79.44 15.00 83 SER CB −26.09 −16.90 80.64 15.00 83 SER OG −25.27 −16.23 81.59 15.00 83 SER C −24.75 −16.15 78.66 15.00 83 SER O −23.57 −15.79 78.79 15.00 84 GLU N −25.61 −15.54 77.86 15.00 84 GLU CA −25.25 −14.36 77.07 15.00 84 GLU CB −26.46 −13.84 76.31 15.00 84 GLU CG −26.17 −12.64 75.43 15.00 84 GLU CD −25.31 −12.99 74.24 15.00 84 GLU OE1 −24.08 −12.98 74.38 15.00 84 GLU OE2 −25.87 −13.29 73.17 15.00 84 GLU C −24.70 −13.27 77.99 15.00 84 GLU O −23.53 −12.89 77.88 15.00 85 ASP N −25.51 −12.82 78.94 15.00 85 ASP CA −25.09 −11.79 79.87 15.00 85 ASP CB −26.13 −11.60 80.99 15.00 85 ASP CG −25.66 −10.63 82.08 15.00 85 ASP OD1 −25.92 −10.88 83.29 15.00 85 ASP OD2 −25.03 −9.60 81.73 15.00 85 ASP C −23.72 −12.09 80.49 15.00 85 ASP O −22.91 −11.18 80.65 15.00 86 ALA N −23.45 −13.34 80.81 15.00 86 ALA CA −22.18 −13.67 81.44 15.00 86 ALA CB −22.25 −15.05 82.03 15.00 86 ALA C −21.01 −13.56 80.47 15.00 86 ALA O −19.91 −13.17 80.86 15.00 87 TYR N −21.26 −13.89 79.21 15.00 87 TYR CA −20.23 −13.85 78.18 15.00 87 TYR CB −19.77 −15.27 77.87 15.00 87 TYR CG −18.42 −15.39 77.19 15.00 87 TYR CD1 −17.96 −14.41 76.30 15.00 87 TYR CE1 −16.74 −14.56 75.65 15.00 87 TYR CD2 −17.62 −16.52 77.40 15.00 87 TYR CE2 −16.40 −16.67 76.76 15.00 87 TYR CZ −15.96 −15.69 75.88 15.00 87 TYR OH −14.75 −15.83 75.25 15.00 87 TYR C −20.93 −13.23 76.97 15.00 87 TYR O −21.57 −13.94 76.19 15.00 88 PRO N −20.90 −11.90 76.86 15.00 88 PRO CD −20.42 −10.97 77.90 15.00 88 PRO CA −21.52 −11.15 75.78 15.00 88 PRO CB −21.33 −9.70 76.23 15.00 88 PRO CG −21.34 −9.81 77.71 15.00 88 PRO C −20.91 −11.38 74.39 15.00 88 PRO O −19.74 −11.74 74.25 15.00 89 TYR N −21.73 −11.12 73.38 15.00 89 TYR CA −21.35 −11.29 71.99 15.00 89 TYR CB −22.56 −11.78 71.18 15.00 89 TYR CG −22.24 −12.15 69.76 15.00 89 TYR CD1 −21.38 −13.20 69.47 15.00 89 TYR CE1 −21.06 −13.53 68.17 15.00 89 TYR CD2 −22.78 −11.44 68.70 15.00 89 TYR CE2 −22.47 −11.76 67.39 15.00 89 TYR CZ −21.61 −12.79 67.13 15.00 89 TYR OH −21.27 −13.08 65.83 15.00 89 TYR C −20.85 −9.95 71.48 15.00 89 TYR O −21.52 −8.92 71.64 15.00 90 VAL N −19.65 −9.94 70.91 15.00 90 VAL CA −19.07 −8.71 70.39 15.00 90 VAL CB −17.75 −8.36 71.12 15.00 90 VAL CG1 −17.97 −8.36 72.62 15.00 90 VAL CG2 −16.65 −9.33 70.74 15.00 90 VAL C −18.88 −8.78 68.87 15.00 90 VAL O −18.54 −7.78 68.23 15.00 91 GLY N −19.08 −9.96 68.30 15.00 91 GLY CA −18.95 −10.12 66.86 15.00 91 GLY C −17.55 −10.23 66.27 15.00 91 GLY O −17.34 −9.87 65.12 15.00 92 GLN N −16.61 −10.80 67.01 15.00 92 GLN CA −15.24 −10.95 66.50 15.00 92 GLN CB −14.56 −9.58 66.41 15.00 92 GLN CG −14.68 −8.72 67.67 15.00 92 GLN CD −13.59 −7.67 67.79 15.00 92 GLN OE1 −12.77 −7.72 68.72 15.00 92 GLN NE2 −13.56 −6.72 66.85 15.00 92 GLN C −14.45 −11.86 67.43 15.00 92 GLN O −14.78 −11.97 68.62 15.00 93 GLU N −13.43 −12.52 66.89 15.00 93 GLU CA −12.64 −13.42 67.71 15.00 93 GLU CB −11.68 −14.28 66.89 15.00 93 GLU CG −12.31 −15.10 65.78 15.00 93 GLU CD −11.63 −14.87 64.44 15.00 93 GLU OE1 −11.94 −15.61 63.48 15.00 93 GLU OE2 −10.78 −13.94 64.33 15.00 93 GLU C −11.84 −12.62 68.71 15.00 93 GLU O −11.41 −11.49 68.44 15.00 94 GLU N −11.61 −13.26 69.85 15.00 94 GLU CA −10.88 −12.70 70.98 15.00 94 GLU CB −11.81 −11.81 71.79 15.00 94 GLU CG −13.19 −12.42 71.93 15.00 94 GLU CD −14.06 −11.70 72.92 15.00 94 GLU OE1 −13.99 −10.45 72.96 15.00 94 GLU OE2 −14.83 −12.38 73.64 15.00 94 GLU C −10.52 −13.92 71.80 15.00 94 GLU O −10.89 −15.02 71.45 15.00 95 SER N −9.81 −13.73 72.91 15.00 95 SER CA −9.43 −14.85 73.75 15.00 95 SER CB −8.32 −14.42 74.71 15.00 95 SER OG −7.20 −13.94 73.98 15.00 95 SER C −10.62 −15.42 74.52 15.00 95 SER O −11.48 −14.67 75.02 15.00 96 CYS N −10.69 −16.75 74.57 15.00 96 CYS CA −11.76 −17.45 75.28 15.00 96 CYS C −11.74 −16.96 76.71 15.00 96 CYS O −10.73 −17.09 77.42 15.00 96 CYS CB −11.53 −18.97 75.20 15.00 96 CYS SG −12.62 −20.03 76.22 15.00 97 MET N −12.85 −16.38 77.14 15.00 97 MET CA −12.96 −15.85 78.49 15.00 97 MET CB −13.32 −14.36 78.39 15.00 97 MET CG −12.29 −13.51 77.69 15.00 97 MET SD −13.01 −11.98 77.03 15.00 97 MET CE −14.07 −11.44 78.40 15.00 97 MET C −14.03 −16.60 79.28 15.00 97 MET O −14.87 −15.99 79.96 15.00 98 TYR N −13.98 −17.93 79.21 15.00 98 TYR CA −14.96 −18.74 79.91 15.00 98 TYR CB −14.69 −20.23 79.71 15.00 98 TYR CG −15.74 −21.10 80.34 15.00 98 TYR CD1 −17.08 −20.99 79.97 15.00 98 TYR CE1 −18.07 −21.74 80.59 15.00 98 TYR CD2 −15.41 −22.00 81.36 15.00 98 TYR CE2 −16.40 −22.76 81.98 15.00 98 TYR CZ −17.72 −22.62 81.60 15.00 98 TYR OH −18.70 −23.34 82.23 15.00 98 TYR C −15.03 −18.43 81.39 15.00 98 TYR O −14.01 −18.38 82.08 15.00 99 ASN N −16.25 −18.27 81.88 15.00 99 ASN CA −16.49 −17.97 83.28 15.00 99 ASN CB −17.29 −16.66 83.38 15.00 99 ASN CG −17.66 −16.33 84.80 15.00 99 ASN OD1 −16.88 −16.57 85.74 15.00 99 ASN ND2 −18.85 −15.79 84.99 15.00 99 ASN C −17.28 −19.10 83.92 15.00 99 ASN O −18.51 −19.16 83.78 15.00 100 PRO N −16.60 −19.99 84.67 15.00 100 PRO CD −15.22 −19.88 85.16 15.00 100 PRO CA −17.29 −21.11 85.32 15.00 100 PRO CB −16.20 −21.72 86.20 15.00 100 PRO CG −15.31 −20.55 86.51 15.00 100 PRO C −18.45 −20.63 86.16 15.00 100 PRO O −19.51 −21.24 86.15 15.00 101 THR N −18.28 −19.50 86.84 15.00 101 THR CA −19.33 −18.95 87.68 15.00 101 THR CB −18.86 −17.68 88.45 15.00 101 THR OG1 −18.71 −16.57 87.55 15.00 101 THR CG2 −17.51 −17.93 89.13 15.00 101 THR C −20.55 −18.59 86.82 15.00 101 THR O −21.68 −18.56 87.32 15.00 102 GLY N −20.32 −18.34 85.54 15.00 102 GLY CA −21.40 −17.98 84.64 15.00 102 GLY C −22.06 −19.12 83.88 15.00 102 GLY O −22.92 −18.86 83.03 15.00 103 LYS N −21.65 −20.36 84.12 15.00 103 LYS CA −22.24 −21.50 83.42 15.00 103 LYS CB −21.72 −22.83 83.98 15.00 103 LYS CG −22.32 −24.05 83.29 15.00 103 LYS CD −22.10 −25.33 84.06 15.00 103 LYS CE −22.96 −25.41 85.35 15.00 103 LYS NZ −24.41 −25.79 85.14 15.00 103 LYS C −23.75 −21.49 83.57 15.00 103 LYS O −24.26 −21.26 84.67 15.00 104 ALA N −24.47 −21.73 82.48 15.00 104 ALA CA −25.93 −21.75 82.53 15.00 104 ALA CB −26.51 −20.51 81.87 15.00 104 ALA C −26.52 −22.99 81.89 15.00 104 ALA O −27.73 −23.15 81.87 15.00 105 ALA N −25.66 −23.87 81.38 15.00 105 ALA CA −26.11 −25.10 80.75 15.00 105 ALA CB −26.84 −24.78 79.44 15.00 105 ALA C −24.95 −26.03 80.46 15.00 105 ALA O −23.79 −25.67 80.62 15.00 106 LYS N −25.28 −27.26 80.07 15.00 106 LYS CA −24.29 −28.25 79.70 15.00 106 LYS CB −23.55 −28.80 80.92 15.00 106 LYS CG −24.41 −29.35 82.04 15.00 106 LYS CD −23.54 −29.64 83.27 15.00 106 LYS CE −22.40 −30.62 82.95 15.00 106 LYS NZ −21.34 −30.67 84.03 15.00 106 LYS C −24.99 −29.36 78.93 15.00 106 LYS O −26.21 −29.30 78.75 15.00 107 CYS N −24.23 −30.30 78.39 15.00 107 CYS CA −24.82 −31.40 77.64 15.00 107 CYS CB −25.06 −30.99 76.19 15.00 107 CYS SG −23.58 −30.95 75.18 15.00 107 CYS C −23.91 −32.61 77.68 15.00 107 CYS O −22.75 −32.49 78.06 15.00 108 ARG N −24.43 −33.77 77.32 15.00 108 ARG CA −23.64 −35.00 77.33 15.00 108 ARG CB −24.12 −35.97 78.42 15.00 108 ARG CG −25.63 −36.03 78.64 15.00 108 ARG CD −26.27 −37.28 78.04 15.00 108 ARG NE −27.73 −37.21 78.14 15.00 108 ARG CZ −28.57 −38.06 77.54 15.00 108 ARG NH1 −28.09 −39.05 76.80 15.00 108 ARG NH2 −29.88 −37.94 77.72 15.00 108 ARG C −23.55 −35.70 75.97 15.00 108 ARG O −23.77 −36.91 75.85 15.00 109 GLY N −23.19 −34.93 74.94 15.00 109 GLY CA −23.06 −35.50 73.61 15.00 109 GLY C −24.08 −34.95 72.65 15.00 109 GLY O −24.81 −34.01 72.97 15.00 110 TYR N −24.16 −35.57 71.48 15.00 110 TYR CA −25.07 −35.16 70.42 15.00 110 TYR CB −24.41 −34.09 69.55 15.00 110 TYR CG −23.10 −34.53 68.92 15.00 110 TYR CD1 −21.91 −34.49 69.64 15.00 110 TYR CE1 −20.71 −34.90 69.08 15.00 110 TYR CD2 −23.06 −34.99 67.62 15.00 110 TYR CE2 −21.87 −35.41 67.04 15.00 110 TYR CZ −20.70 −35.35 67.77 15.00 110 TYR OH −19.52 −35.75 67.18 15.00 110 TYR C −25.39 −36.37 69.57 15.00 110 TYR O −24.80 −37.44 69.77 15.00 111 ARG N −26.29 −36.20 68.61 15.00 111 ARG CA −26.69 −37.28 67.73 15.00 111 ARG CB −27.96 −37.95 68.26 15.00 111 ARG CG −27.84 −38.48 69.67 15.00 111 ARG CD −29.18 −39.01 70.20 15.00 111 ARG NE −29.77 −40.08 69.39 15.00 111 ARG CZ −29.16 −41.20 69.02 15.00 111 ARG NH1 −29.81 −42.09 68.27 15.00 111 ARG NH2 −27.91 −41.45 69.40 15.00 111 ARG C −26.98 −36.73 66.35 15.00 111 ARG O −27.99 −36.05 66.17 15.00 112 GLU N −26.10 −36.96 65.39 15.00 112 GLU CA −26.32 −36.48 64.03 15.00 112 GLU CB −25.09 −36.71 63.15 15.00 112 GLU CG −23.91 −35.81 63.46 15.00 112 GLU CD −23.40 −35.09 62.22 15.00 112 GLU OE1 −24.13 −34.21 61.69 15.00 112 GLU OE2 −22.27 −35.41 61.77 15.00 112 GLU C −27.50 −37.23 63.45 15.00 112 GLU O −27.70 −38.41 63.76 15.00 113 ILE N −28.29 −36.55 62.64 15.00 113 ILE CA −29.46 −37.15 62.02 15.00 113 ILE CB −30.51 −36.04 61.71 15.00 113 ILE CG2 −31.75 −36.60 61.05 15.00 113 ILE CG1 −30.92 −35.38 63.02 15.00 113 ILE CD1 −31.95 −34.32 62.87 15.00 113 ILE C −28.95 −37.84 60.75 15.00 113 ILE O −27.93 −37.44 60.20 15.00 114 PRO N −29.60 −38.95 60.34 15.00 114 PRO CD −30.69 −39.67 61.02 15.00 114 PRO CA −29.17 −39.68 59.14 15.00 114 PRO CB −30.28 −40.72 58.97 15.00 114 PRO CG −30.62 −41.05 60.38 15.00 114 PRO C −29.04 −38.79 57.93 15.00 114 PRO O −30.00 −38.17 57.47 15.00 115 GLU N −27.82 −38.75 57.41 15.00 115 GLU CA −27.50 −37.92 56.26 15.00 115 GLU CB −26.12 −38.30 55.74 15.00 115 GLU CG −25.58 −37.36 54.68 15.00 115 GLU CD −24.19 −37.76 54.22 15.00 115 GLU OE1 −23.20 −37.34 54.86 15.00 115 GLU OE2 −24.10 −38.51 53.22 15.00 115 GLU C −28.52 −38.00 55.14 15.00 115 GLU O −28.72 −39.05 54.56 15.00 116 GLY N −29.21 −36.89 54.90 15.00 116 GLY CA −30.18 −36.81 53.83 15.00 116 GLY C −31.55 −37.41 54.07 15.00 116 GLY O −32.34 −37.53 53.14 15.00 117 ASN N −31.86 −37.73 55.32 15.00 117 ASN CA −33.15 −38.34 55.65 15.00 117 ASN CB −32.91 −39.54 56.56 15.00 117 ASN CG −34.17 −40.32 56.84 15.00 117 ASN OD1 −35.26 −39.75 56.98 15.00 117 ASN ND2 −34.04 −41.64 56.94 15.00 117 ASN C −34.11 −37.34 56.30 15.00 117 ASN O −34.16 −37.23 57.52 15.00 118 GLU N −34.90 −36.66 55.48 15.00 118 GLU CA −35.85 −35.67 55.98 15.00 118 GLU CB −36.67 −35.08 54.85 15.00 118 GLU CG −35.91 −34.08 54.01 15.00 118 GLU CD −36.80 −32.98 53.50 15.00 118 GLU OE1 −37.51 −32.38 54.32 15.00 118 GLU OE2 −36.79 −32.73 52.29 15.00 118 GLU C −36.80 −36.20 57.04 15.00 118 GLU O −37.05 −35.54 58.04 15.00 119 LYS N −37.34 −37.38 56.81 15.00 119 LYS CA −38.28 −37.95 57.77 15.00 119 LYS CB −38.87 −39.24 57.21 15.00 119 LYS CG −39.46 −39.06 55.80 15.00 119 LYS CD −40.57 −38.01 55.77 15.00 119 LYS CE −41.82 −38.49 56.49 15.00 119 LYS NZ −42.97 −37.55 56.32 15.00 119 LYS C −37.66 −38.15 59.15 15.00 119 LYS O −38.29 −37.87 60.16 15.00 120 ALA N −36.39 −38.56 59.19 15.00 120 ALA CA −35.73 −38.76 60.48 15.00 120 ALA CB −34.39 −39.43 60.30 15.00 120 ALA C −35.56 −37.41 61.15 15.00 120 ALA O −35.40 −37.34 62.37 15.00 121 LEU N −35.58 −36.35 60.34 15.00 121 LEU CA −35.45 −34.99 60.83 15.00 121 LEU CB −35.03 −34.03 59.71 15.00 121 LEU CG −34.92 −32.51 59.96 15.00 121 LEU CD1 −33.98 −32.21 61.11 15.00 121 LEU CD2 −34.45 −31.82 58.71 15.00 121 LEU C −36.78 −34.54 61.43 15.00 121 LEU O −36.80 −33.96 62.51 15.00 122 LYS N −37.89 −34.84 60.76 15.00 122 LYS CA −39.20 −34.44 61.28 15.00 122 LYS CB −40.34 −34.86 60.35 15.00 122 LYS CG −41.71 −34.49 60.95 15.00 122 LYS CD −42.90 −34.72 60.02 15.00 122 LYS CE −43.21 −36.19 59.84 15.00 122 LYS NZ −42.13 −36.87 59.07 15.00 122 LYS C −39.43 −35.03 62.67 15.00 122 LYS O −40.00 −34.38 63.54 15.00 123 ARG N 39.02 −36.28 62.85 15.00 123 ARG CA −39.18 −36.96 64.12 15.00 123 ARG CB −38.90 −38.45 63.95 15.00 123 ARG CG −40.04 −39.22 63.30 15.00 123 ARG CD −39.53 −40.52 62.67 15.00 123 ARG NE −38.42 −41.08 63.44 15.00 123 ARG CZ −37.46 −41.85 62.92 15.00 123 ARG NH1 −37.47 −42.16 61.62 15.00 123 ARG NH2 −36.45 −42.23 63.68 15.00 123 ARG C −38.24 −36.34 65.14 15.00 123 ARG O −38.65 −36.04 66.25 15.00 124 ALA N −36.99 −36.12 64.76 15.00 124 ALA CA −36.05 −35.51 65.68 15.00 124 ALA CB −34.70 −35.31 65.02 15.00 124 ALA C −36.60 −34.17 66.19 15.00 124 ALA O −36.55 −33.91 67.39 15.00 125 VAL N −37.14 −33.34 65.30 15.00 125 VAL CA −37.68 −32.06 65.76 15.00 125 VAL CB −38.01 −31.03 64.60 15.00 125 VAL CG1 −36.78 −30.27 64.19 15.00 125 VAL CG2 −38.58 −31.72 63.39 15.00 125 VAL C −38.94 −32.28 66.58 15.00 125 VAL O −39.21 −31.52 67.50 15.00 126 ALA N −39.69 −33.32 66.27 15.00 126 ALA CA −40.93 −33.60 66.98 15.00 126 ALA CB −41.81 −34.52 66.16 15.00 126 ALA C −40.75 −34.16 68.38 15.00 126 ALA O −41.53 −33.84 69.28 15.00 127 ARG N −39.73 −35.00 68.55 15.00 127 ARG CA −39.42 −35.68 69.81 15.00 127 ARG CB −39.04 −37.14 69.54 15.00 127 ARG CG −40.20 −37.95 69.00 15.00 127 ARG CD −39.78 −39.23 68.27 15.00 127 ARG NE −40.95 −39.80 67.60 15.00 127 ARG CZ −40.95 −40.88 66.83 15.00 127 ARG NH1 −42.09 −41.30 66.28 15.00 127 ARG NH2 −39.84 −41.56 66.63 15.00 127 ARG C −38.33 −35.04 70.66 15.00 127 ARG O −38.25 −35.30 71.86 15.00 128 VAL N −37.48 −34.22 70.04 15.00 128 VAL CA −36.40 −33.54 70.75 15.00 128 VAL CB −35.03 −33.81 70.10 15.00 128 VAL CG1 −33.92 −33.34 71.02 15.00 128 VAL CG2 −34.87 −35.29 69.78 15.00 128 VAL C −36.58 −32.02 70.88 15.00 128 VAL O −36.43 −31.46 71.95 15.00 129 GLY N −36.89 −31.35 69.77 15.00 129 GLY CA −37.08 −29.91 69.81 15.00 129 GLY C −36.26 −29.29 68.69 15.00 129 GLY O −36.02 −29.96 67.68 15.00 130 PRO N −35.83 −28.02 68.81 15.00 130 PRO CD −36.20 −27.06 69.86 15.00 130 PRO CA −35.04 −27.37 67.77 15.00 130 PRO CB −34.67 −26.05 68.43 15.00 139 PRO CG −35.92 −25.74 69.18 15.00 130 PRO C −33.81 −28.17 67.39 15.00 130 PRO O −33.07 −28.64 68.26 15.00 131 VAL N −33.60 −28.33 66.09 15.00 131 VAL CA −32.46 −29.08 65.58 15.00 131 VAL CB −32.94 −30.26 64.68 15.00 131 VAL CG1 −31.76 −31.03 64.14 15.00 131 VAL CG2 −33.82 −31.20 65.46 15.00 131 VAL C −31.50 −28.20 64.77 15.00 131 VAL O −31.93 −27.35 63.99 15.00 132 SER N −30.20 −28.39 64.96 15.00 132 SER CA −29.23 −27.61 64.22 15.00 132 SER CB −27.88 −27.61 64.94 15.00 132 SER OG −28.00 −26.96 66.20 15.00 132 SER C −29.08 −28.21 62.82 15.00 132 SER O −28.83 −29.41 62.68 15.00 133 VAL N −29.31 −27.39 61.80 15.00 133 VAL CA −29.22 −27.82 60.40 15.00 133 VAL CB −30.60 −27.81 59.68 15.00 133 VAL CG1 −31.51 −28.90 60.23 15.00 133 VAL CG2 −31.27 −26.45 59.80 15.00 133 VAL C −28.26 −26.93 59.62 15.00 133 VAL O −27.88 −25.85 60.08 15.00 134 ALA N −27.93 −27.36 58.41 15.00 134 ALA CA −27.02 −26.64 57.54 15.00 134 ALA CB −25.69 −27.35 57.48 15.00 134 ALA C −27.64 −26.61 56.16 15.00 134 ALA O −27.92 −27.66 55.60 15.00 135 ILE N −27.84 −25.43 55.60 15.00 135 ILE CA −28.45 −25.31 54.28 15.00 135 ILE CB −29.84 −24.62 54.36 15.00 135 ILE CG2 −30.82 −25.47 55.15 15.00 135 ILE CG1 −29.70 −23.24 55.00 15.00 135 ILE CD1 −30.95 −22.42 54.97 15.00 135 ILE C −27.59 −24.49 53.32 15.00 135 ILE O −26.49 −24.04 53.66 15.00 136 ASP N −28.09 −24.33 52.10 15.00 136 ASP CA −27.45 −23.52 51.07 15.00 136 ASP CB −27.50 −24.23 49.72 15.00 136 ASP CG −27.09 −23.32 48.57 15.00 136 ASP OD1 −27.71 −23.40 47.49 15.00 136 ASP OD2 −26.15 −22.50 48.73 15.00 136 ASP C −28.22 −22.21 50.99 15.00 136 ASP O −29.36 −22.17 50.52 15.00 137 ALA N −27.61 −21.13 51.46 15.00 137 ALA CA −28.26 −19.83 51.42 15.00 137 ALA CB −28.42 −19.30 52.83 15.00 137 ALA C −27.46 −18.84 50.56 15.00 137 ALA O −27.34 −17.66 50.89 15.00 138 SER N −26.92 −19.34 49.45 15.00 138 SER CA −26.12 −18.53 48.53 15.00 138 SER CB −25.09 −19.42 47.83 15.00 138 SER OG −25.71 −20.52 47.19 15.00 138 SER C −26.97 −17.80 47.49 15.00 138 SER O −26.60 −16.72 47.01 15.00 139 LEU N −28.12 −18.36 47.17 15.00 139 LEU CA −29.02 −17.79 46.19 15.00 139 LEU CB −30.07 −18.84 45.80 15.00 139 LEU CG −29.49 −20.25 45.62 15.00 139 LEU CD1 −30.58 −21.21 45.21 15.00 139 LEU CD2 −28.37 −20.28 44.61 15.00 139 LEU C −29.70 −16.52 46.70 15.00 139 LEU O −30.06 −16.43 47.88 15.00 140 THR N −29.90 −15.54 45.81 15.00 140 THR CA −30.54 −14.29 46.18 15.00 140 THR CB −30.46 −13.21 45.07 15.00 140 THR OG1 −30.85 −13.77 43.82 15.00 140 THR CG2 −29.05 −12.66 44.96 15.00 140 THR C −32.00 −14.49 46.57 15.00 140 THR O −32.50 −13.79 47.45 15.00 141 SER N −32.68 −15.45 45.95 15.00 141 SER CA −34.08 −15.70 46.30 15.00 141 SER CB −34.66 −16.86 45.50 15.00 141 SER OG −33.72 −17.92 45.39 15.00 141 SER C −34.19 −15.94 47.79 15.00 141 SER O −35.04 −15.37 48.46 15.00 142 PHE N −33.27 −16.72 48.33 15.00 142 PHE CA −33.28 −17.01 49.76 15.00 142 PHE CB −32.21 −18.05 50.11 15.00 142 PHE CG −32.17 −18.41 51.57 15.00 142 PHE CD1 −32.97 −19.43 52.08 15.00 142 PHE CD2 −31.34 −17.72 52.45 15.00 142 PHE CE1 −32.94 −19.75 53.43 15.00 142 PHE CE2 −31.31 −18.04 53.80 15.00 142 PHE CZ −32.11 −19.05 54.29 15.00 142 PHE C −33.01 −15.75 50.54 15.00 142 PHE O −33.69 −15.45 51.52 15.00 143 GLN N −32.01 −15.00 50.09 15.00 143 GLN CA −31.61 −13.79 50.78 15.00 143 GLN CB −30.30 −13.26 50.21 15.00 143 GLN CG −29.18 −14.29 50.23 15.00 143 GLN CD −27.85 −13.72 49.81 15.00 143 GLN OE1 −27.29 −12.84 50.48 15.00 143 GLN NE2 −27.31 −14.22 48.70 15.00 143 GLN C −32.67 −12.70 50.84 15.00 143 GLN O −32.79 −12.04 51.86 15.00 144 PHE N −33.45 −12.51 49.78 15.00 144 PHE CA −34.50 −11.48 49.83 15.00 144 PHE CB −34.57 −10.60 48.55 15.00 144 PHE CG −34.78 −11.35 47.27 15.00 144 PHE CD1 −33.92 −11.14 46.19 15.00 144 PHE CD2 −35.84 −12.24 47.12 15.00 144 PHE CE1 −34.11 −11.81 44.99 15.00 144 PHE CE2 −36.04 −12.92 45.91 15.00 144 PHE CZ −35.18 −12.71 44.85 15.00 144 PHE C −35.88 −12.04 50.20 15.00 144 PHE O −36.90 −11.36 50.02 15.00 145 TYR N −35.89 −13.28 50.71 15.00 145 TYR CA −37.12 −13.95 51.12 15.00 145 TYR CB −36.80 −15.21 51.94 15.00 145 TYR CG −37.98 −15.77 52.70 15.00 145 TYR CD1 −38.84 −16.69 52.12 15.00 145 TYR CE1 −39.96 −17.15 52.80 15.00 145 TYR CD2 −38.27 −15.32 53.99 15.00 145 TYR CE2 −39.40 −15.78 54.67 15.00 145 TYR CZ −40.24 −16.69 54.07 15.00 145 TYR OH −41.38 −17.11 54.73 15.00 145 TYR C −37.90 −12.98 51.97 15.00 145 TYR O −37.32 −12.24 52.74 15.00 146 SER N −39.21 −13.02 51.84 15.00 146 SER CA −40.07 −12.13 52.59 15.00 146 SER CB −40.63 −11.07 51.63 15.00 146 SER OG −41.38 −10.08 52.30 15.00 146 SER C −41.21 −12.89 53.24 15.00 146 SER O −41.48 −12.72 54.43 15.00 147 LYS N −41.86 −13.77 52.48 15.00 147 LYS CA −42.98 −14.54 53.01 15.00 147 LYS CB −44.25 −13.71 53.04 15.00 147 LYS CG −44.62 −13.11 51.70 15.00 147 LYS CD −46.07 −12.67 51.68 15.00 147 LYS CE −46.47 −12.13 50.31 15.00 147 LYS NZ −47.97 −12.11 50.14 15.00 147 LYS C −43.21 −15.79 52.19 15.00 147 LYS O −42.55 −16.01 51.17 15.00 148 GLY N −44.16 −16.61 52.64 15.00 148 GLY CA −44.49 −17.85 51.95 15.00 148 GLY C −43.47 −18.95 52.16 15.00 148 GLY O −42.52 −18.79 52.93 15.00 149 VAL N −43.64 −20.04 51.43 15.00 149 VAL CA −42.75 −21.19 51.52 15.00 149 VAL CB −43.57 −22.51 51.47 15.00 149 VAL CG1 −42.66 −23.71 51.33 15.00 149 VAL CG2 −44.41 −22.65 52.72 15.00 149 VAL C −41.67 −21.17 50.43 15.00 149 VAL O −41.96 −21.34 49.24 15.00 150 TYR N −40.43 −20.96 50.84 15.00 150 TYR CA −39.30 −20.91 49.91 15.00 150 TYR CB −38.04 −20.41 50.64 15.00 150 TYR CG −36.82 −20.29 49.75 15.00 150 TYR CD1 −36.78 −19.38 48.69 15.00 150 TYR CE1 −35.67 −19.27 47.88 15.00 150 TYR CD2 −35.69 −21.07 49.97 15.00 150 TYR CE2 −34.56 −20.96 49.16 15.00 150 TYR CZ −34.56 −20.06 48.11 15.00 150 TYR OH −33.45 −19.93 47.32 15.00 150 TYR C −39.03 −22.26 49.27 15.00 150 TYR O −39.23 −23.31 49.88 15.00 151 TYR N −38.55 −22.22 48.03 15.00 151 TYR CA −38.21 −23.42 47.28 15.00 151 TYR CB −39.45 −24.26 46.99 15.00 151 TYR CG −39.15 −25.46 46.11 15.00 151 TYR CD1 −38.22 −26.42 46.51 15.00 151 TYR CE1 −37.94 −27.53 45.71 15.00 151 TYR CD2 −39.79 −25.63 44.89 15.00 151 TYR CE2 −39.52 −26.74 44.08 15.00 151 TYR CZ −38.59 −27.69 44.50 15.00 151 TYR OH −38.36 −28.83 43.75 15.00 151 TYR C −37.60 −23.00 45.97 15.00 151 TYR O −38.29 −22.44 45.11 15.00 152 ASP N −36.31 −23.25 45.80 15.00 152 ASP CA −35.66 −22.90 44.55 15.00 152 ASP CB −34.74 −21.69 44.71 15.00 152 ASP CG −34.02 −21.34 43.43 15.00 152 ASP OD1 −34.60 −21.55 42.34 15.00 152 ASP OD2 −32.87 −20.86 43.49 15.00 152 ASP C −34.87 −24.07 44.02 15.00 152 ASP O −33.84 −24.43 44.56 15.00 153 GLU N −35.33 −24.60 42.90 15.00 153 GLU CA −34.70 −25.74 42.26 15.00 153 GLU CB −35.49 −26.18 41.03 15.00 153 GLU CG −35.79 −25.08 40.01 15.00 153 GLU CD −37.17 −24.43 40.19 15.00 153 GLU OE1 −38.12 −24.84 39.48 15.00 153 GLU OE2 −37.29 −23.50 41.02 15.00 153 GLU C −33.22 −25.56 41.91 15.00 153 GLU O −32.59 −26.50 41.44 15.00 154 SER N −32.66 −24.37 42.12 15.00 154 SER CA −31.24 −24.12 41.82 15.00 154 SER CB −31.02 −22.70 41.29 15.00 154 SER OG −32.05 −22.32 40.40 15.00 154 SER C −30.40 −24.30 43.08 15.00 154 SER O −29.17 −24.21 43.04 15.00 155 CYS N −31.08 −24.48 44.22 15.00 155 CYS CA −30.41 −24.66 45.49 15.00 155 CYS C −29.57 −25.91 45.40 15.00 155 CYS O −30.00 −2&.91 44.82 15.00 155 CYS CB −31.44 −24.79 46.62 15.00 155 CYS SG −30.90 −24.05 48.19 15.00 156 ASN N −28.36 −25.87 45.94 15.00 156 ASN CA −27.47 −27.01 45.87 15.00 156 ASN CB −26.18 −26.59 45.19 15.00 156 ASN CG −25.28 −27.76 44.91 15.00 156 ASN OD1 −25.73 −28.91 44.88 15.00 156 ASN ND2 −23.99 −27.49 44.73 15.00 156 ASN C −27.20 −27.67 47.23 15.00 156 ASN O −26.43 −27.16 48.05 15.00 157 SER N −27.79 −28.85 47.41 15.00 157 SER CA −27.67 −29.64 48.62 15.00 157 SER CB −28.48 −30.92 48.45 15.00 157 SER OG −29.83 −30.63 48.13 15.00 157 SER C −26.24 −30.00 49.04 15.00 157 SER O −26.01 −30.36 50.19 15.00 158 ASP N −25.30 −29.93 48.10 15.00 158 ASP CA −23.89 −30.24 48.35 15.00 158 ASP CB −23.21 −30.69 47.07 15.00 158 ASP CG −23.72 −32.01 46.57 15.00 158 ASP OD1 −24.95 −32.15 46.33 15.00 158 ASP OD2 −22.86 −32.91 46.38 15.00 158 ASP C −23.14 −29.02 48.87 15.00 158 ASP O −22.11 −29.15 49.53 15.00 159 ASN N −23.62 −27.84 48.51 15.00 159 ASN CA −22.98 −26.62 48.94 15.00 159 ASN CB −23.10 −25.57 47.84 15.00 159 ASN CG −22.14 −24.40 48.03 15.00 159 ASN OD1 −21.43 −24.30 49.04 15.00 159 ASN ND2 −22.10 −23.51 47.04 15.00 159 ASN C −23.68 −26.14 50.20 15.00 159 ASN O −24.63 −25.37 50.12 15.00 160 LEU N −23.25 −26.64 51.36 15.00 160 LEU CA −23.84 −26.23 52.63 15.00 160 LEU CB −23.88 −27.42 53.60 15.00 160 LEU CG −24.59 −28.72 53.22 15.00 160 LEU CD1 −24.45 −29.70 54.37 15.00 160 LEU CD2 −26.06 −28.49 52.89 15.00 160 LEU C −22.98 −25.11 53.22 15.00 160 LEU O −21.91 −25.35 53.78 15.00 161 ASN N −23.47 −23.89 53.16 15.00 161 ASN CA −22.70 −22.75 53.65 15.00 161 ASN CB −22.58 −21.73 52.53 15.00 161 ASN CG −23.89 −21.51 51.84 15.00 161 ASN OD1 −24.74 −20.76 52.33 15.00 161 ASN ND2 −24.10 −22.23 50.75 15.00 161 ASN C −23.23 −22.05 54.89 15.00 161 ASN O −22.45 −21.62 55.73 15.00 162 HIS N −24.54 −21.93 55.01 15.00 162 HIS CA −25.13 −21.27 56.16 15.00 162 HIS CB −26.18 −20.27 55.67 15.00 162 HIS CG −26.55 −19.22 56.67 15.00 162 HIS CD2 −27.72 −18.61 56.93 15.00 162 HIS ND1 −25.63 −18.66 57.53 15.00 162 HIS CE1 −26.22 −17.74 58.27 15.00 162 HIS NE2 −27.49 −17.69 57.93 15.00 162 HIS C −25.76 −22.27 57.12 15.00 162 HIS O −26.47 −23.19 56.69 15.00 163 ALA N −25.47 −22.12 58.41 15.00 163 ALA CA −26.01 −23.00 59.45 15.00 163 ALA CB −24.93 −23.33 60.47 15.00 163 ALA C −27.15 −22.28 60.13 15.00 163 ALA O −27.00 −21.13 60.54 15.00 164 VAL N −28.30 −22.94 60.24 15.00 164 VAL CA −29.48 −22.34 60.86 15.00 164 VAL CB −30.54 −21.99 59.79 15.00 164 VAL CG1 −30.11 −20.79 58.99 15.00 164 VAL CG2 −30.75 −23.16 58.86 15.00 164 VAL C −30.05 −23.28 61.91 15.00 164 VAL O −29.37 −24.21 62.33 15.00 165 LEU N −31.31 −23.07 62.30 15.00 165 LEU CA −31.97 −23.88 63.33 15.00 165 LEU CB −32.00 −23.11 64.64 15.00 165 LEU CG −32.59 −23.77 65.88 15.00 165 LEU CD1 −31.53 −24.65 66.49 15.00 165 LEU CD2 −33.04 −22.71 66.87 15.00 165 LEU C −33.40 −24.17 62.94 15.00 165 LEU O −34.16 −23.24 62.72 15.00 166 ALA N −33.79 −25.44 62.92 15.00 166 ALA CA −35.15 −25.82 62.56 15.00 166 ALA CB −35.16 −27.19 61.92 15.00 166 ALA C −36.03 −25.80 63.80 15.00 166 ALA O −35.93 −26.66 64.66 15.00 167 VAL N −36.89 −24.80 63.88 15.00 167 VAL CA −37.79 −24.62 65.01 15.00 167 VAL CB −38.11 −23.11 65.18 15.00 167 VAL CG1 −39.35 −22.88 66.00 15.00 167 VAL CG2 −36.94 −22.42 65.84 15.00 167 VAL C −39.06 −25.46 64.92 15.00 167 VAL O −39.83 −25.56 65.87 15.00 168 GLY N −39.28 −26.10 63.78 15.00 168 GLY CA −40.48 −26.91 63.65 15.00 168 GLY C −40.77 −27.29 62.23 15.00 168 GLY O −39.85 −27.36 61.41 15.00 169 TYR N −42.04 −27.55 61.95 15.00 169 TYR CA −42.50 −27.93 60.62 15.00 169 TYR CB −42.09 −29.38 60.30 15.00 169 TYR CG −42.61 −30.41 61.28 15.00 169 TYR CD1 −43.94 −30.82 61.25 15.00 169 TYR CE1 −44.42 −31.76 62.13 15.00 169 TYR CD2 −41.77 −30.98 62.23 15.00 169 TYR CE2 −42.24 −31.93 63.13 15.00 169 TYR CZ −43.57 −32.31 63.07 15.00 169 TYR OH −44.04 −33.26 63.95 15.00 169 TYR C −44.02 −27.78 60.54 15.00 169 TYR O −44.70 −27.74 61.57 15.00 170 GLY N −44.55 −27.71 59.33 15.00 170 GLY CA −45.98 −27.55 59.16 15.00 170 GLY C −46.42 −27.49 57.72 15.00 170 GLY O −45.69 −27.89 56.82 15.00 171 ILE N −47.61 −26.95 57.49 15.00 171 ILE CA −48.20 −26.83 56.16 15.00 171 ILE CB −49.51 −27.69 56.06 15.00 171 ILE CG2 −50.16 −27.55 54.70 15.00 171 ILE CG1 −49.20 −29.18 56.27 15.00 171 ILE CD1 −48.97 −29.59 57.73 15.00 171 ILE C −48.55 −25.36 55.90 15.00 171 ILE O −48.58 −24.55 56.84 15.00 172 GLN N −48.73 −25.00 54.63 15.00 172 GLN CA −49.10 −23.64 54.25 15.00 172 GLN CB −47.90 −22.90 53.68 15.00 172 GLN CG −47.16 −22.04 54.69 15.00 172 GLN CD −47.81 −20.68 54.87 15.00 172 GLN OE1 −47.24 −19.66 54.49 15.00 172 GLN NE2 −49.00 −20.66 55.47 15.00 172 GLN C −50.24 −23.71 53.24 15.00 172 GLN O −51.31 −24.23 53.55 15.00 173 LYS N −50.05 −23.17 52.05 15.00 173 LYS CA −51.11 −23.24 51.05 15.00 173 LYS CB −51.04 −22.05 50.08 15.00 173 LYS CG −S1.15 −20.70 50.77 15.00 173 LYS CD −50.94 −19.57 49.77 15.00 173 LYS CE −50.57 −18.27 50.50 15.00 173 LYS NZ −49.28 −18.39 S1.26 15.00 173 LYS C −50.82 −24.55 50.34 15.00 173 LYS O −50.33 −24.58 49.21 15.00 174 GLY N −51.02 −25.63 51.08 15.00 174 GLY CA −50.77 −26.96 50.56 15.00 174 GLY C −49.30 −27.32 50.59 15.00 174 GLY O −48.95 −28.47 50.31 15.00 175 ASN N −48.44 −26.35 50.92 15.00 175 ASN CA −47.00 −26.60 50.98 15.00 175 ASN CB −46.20 −25.39 50.47 15.00 175 ASN CG −46.70 −24.86 49.14 15.00 175 ASN OD1 −47.33 −23.79 49.08 15.00 175 ASN ND2 −46.41 −25.58 48.06 15.00 175 ASN C −46.49 −26.95 52.38 15.00 175 ASN O −46.66 −26.16 53.33 15.00 176 LYS N −45.90 −28.13 52.53 15.00 176 LYS CA −45.33 −28.50 53.82 15.00 176 LYS CB −44.94 −29.98 53.84 15.00 176 LYS CG −46.10 −30.95 53.63 15.00 176 LYS CD −45.67 −32.36 53.98 15.00 176 LYS CE −46.71 −33.40 53.61 15.00 176 LYS NZ −46.36 −34.11 52.34 15.00 176 LYS C −44.08 −27.63 53.94 15.00 176 LYS O −43.52 −27.21 52.92 15.00 177 HIS N −43.62 −27.37 55.16 15.00 177 HIS CA −42.44 −26.52 55.34 15.00 177 HIS CB −42.84 −25.05 55.23 15.00 177 HIS CG −43.71 −24.59 56.35 15.00 177 HIS CD2 −43.41 −24.18 57.61 15.00 177 HIS ND1 −45.09 −24.52 56.26 15.00 177 HIS CE1 −45.59 −24.10 57.40 15.00 177 HIS NE2 −44.59 −23.89 58.24 15.00 177 HIS C −41.74 −26.73 56.67 15.00 177 HIS O −42.32 −27.24 57.62 15.00 178 TRP N −40.49 −26.28 56.73 15.00 178 TRP CA −39.64 −26.34 57.91 15.00 178 TRP CB −38.24 −26.82 57.54 15.00 178 TRP CG −38.16 −28.22 57.08 15.00 178 TRP CD2 −38.28 −29.41 57.88 15.00 178 TRP CE2 −38.08 −30.51 57.03 15.00 178 TRP CE3 −38.52 −29.64 59.24 15.00 178 TRP CD1 −37.92 −28.65 55.81 15.00 178 TRP NE1 −37.87 −30.02 55.77 15.00 178 TRP CZ2 −38.13 −31.83 57.48 15.00 178 TRP CZ3 −38.57 −30.95 59.70 15.00 178 TRP CH2 −38.37 −32.03 58.83 15.00 178 TRP C −39.53 −24.91 58.39 15.00 178 TRP O −39.15 −24.04 57.61 15.00 179 ILE N −39.89 −24.63 59.63 15.00 179 ILE CA −39.79 −23.28 60.16 15.00 179 ILE CB −40.65 −23.09 61.42 15.00 179 ILE CG2 −40.61 −21.64 61.85 15.00 179 ILE CG1 −42.09 −23.52 61.15 15.00 179 ILE CD1 −42.97 −23.45 62.38 15.00 179 ILE C −38.32 −23.04 60.52 15.00 179 ILE O −37.80 −23.66 61.45 15.00 180 ILE N −37.67 −22.16 59.78 15.00 180 ILE CA −36.27 −21.87 60.01 15.00 180 ILE CB −35.46 −22.00 58.70 15.00 180 ILE CG2 −34.01 −21.64 58.91 15.00 180 ILE CG1 −35.57 −23.42 58.16 15.00 180 ILE CD1 −34.96 −24.46 59.08 15.00 180 ILE C −36.01 −20.52 60.69 15.00 180 ILE O −36.70 −19.53 60.44 15.00 181 LYS N −35.02 −20.53 61.58 15.00 181 LYS CA −34.60 −19.36 62.34 15.00 181 LYS CB −34.59 −19.69 63.84 15.00 181 LYS CG −34.02 −18.59 64.70 15.00 181 LYS CD −33.87 −19.04 66.14 15.00 181 LYS CE −33.58 −17.85 67.01 15.00 181 LYS NZ −33.52 −18.17 68.45 15.00 181 LYS C −33.19 −19.02 61.91 15.00 181 LYS O −32.28 −19.85 62.04 15.00 182 ASN N −33.00 −17.82 61.37 15.00 182 ASN CA −31.68 −17.42 60.93 15.00 182 ASN CB −31.77 −16.80 59.54 15.00 182 ASN CG −30.45 −16.80 58.83 15.00 182 ASN OD1 −29.40 −16.99 59.44 15.00 182 ASN ND2 −30.48 −16.62 57.51 15.00 182 ASN C −31.10 −16.42 61.92 15.00 182 ASN O −31.81 −15.94 62.79 15.00 183 SER N −29.81 −16.14 61.82 15.00 183 SER CA −29.19 −15.20 62.74 15.00 183 SER CB −27.97 −15.85 63.38 15.00 183 SER CG −27.30 −16.66 62.44 15.00 183 SER C −28.79 −13.90 62.04 15.00 183 SER O −27.68 −13.40 62.23 15.00 184 TRP N −29.70 −13.34 61.25 15.00 184 TRP CA −29.44 −12.11 60.52 15.00 184 TRP CB −29.77 −12.29 59.03 15.00 184 TRP CG −28.79 −13.14 58.29 15.00 184 TRP CD2 −28.97 −13.73 57.01 15.00 184 TRP CE2 −27.80 −14.45 56.71 15.00 184 TRP CE3 −30.01 −13.74 56.08 15.00 184 TRP CD1 −27.55 −13.50 58.71 15.00 184 TRP NE1 −26.94 −14.28 57.77 15.00 184 TRP CZ2 −27.64 −15.17 55.52 15.00 184 TRP CZ3 −29.85 −14.46 54.90 15.00 184 TRP CH2 −28.67 −15.16 54.63 15.00 184 TRP C −30.23 −10.93 61.07 15.00 184 TRP O −30.32 −9.88 60.43 15.00 185 GLY N −30.78 −11.07 62.27 15.00 185 GLY CA −31.54 −9.98 62.83 15.00 185 GLY C −33.02 −10.16 62.62 15.00 185 GLY O −33.46 −11.00 61.84 15.00 186 GLU N −33.80 −9.35 63.33 15.00 186 GLU CA −35.26 −9.39 63.27 15.00 186 GLU CB −35.79 −8.71 64.53 15.00 186 GLU CG −37.29 −8.65 64.70 15.00 186 GLU CD −37.71 −8.03 66.04 15.00 186 GLU OE1 −36.83 −7.61 66.83 15.00 186 GLU OE2 −38.93 −7.98 66.31 15.00 186 GLU C −35.73 −8.65 62.03 15.00 186 GLU O −36.89 −8.73 61.64 15.00 187 ASN N −34.78 −8.02 61.36 15.00 187 ASN CA −35.02 −7.21 60.18 15.00 187 ASN CB −34.03 −6.03 60.25 15.00 187 ASN CG −34.42 −4.86 59.37 15.00 187 ASN OD1 −33.58 −4.33 58.64 15.00 187 ASN ND2 −35.67 −4.40 59.48 15.00 187 ASN C −34.86 −7.97 58.86 15.00 187 ASN O −34.92 −7.36 57.80 15.00 188 TRP N −34.62 −9.28 58.92 15.00 188 TRP CA −34.47 −10.08 57.70 15.00 188 TRP CB −33.20 −10.94 57.77 15.00 188 TRP CG −33.05 −11.85 56.60 15.00 188 TRP CD2 −33.41 −13.23 56.52 15.00 188 TRP CE2 −33.18 −13.66 55.20 15.00 188 TRP CE3 −33.92 −14.16 57.45 15.00 188 TRP CD1 −32.61 −11.50 55.36 15.00 188 TRP NE1 −32.69 −12.58 54.51 15.00 188 TRP CZ2 −33.45 −14.96 54.76 15.00 188 TRP CZ3 −34.18 −15.46 57.02 15.00 188 TRP CH2 −33.94 −15.85 55.69 15.00 188 TRP C −35.66 −11.00 57.51 15.00 188 TRP O −36.23 −11.48 58.49 15.00 189 GLY N −36.02 −11.29 56.27 15.00 189 GLY CA −37.14 −12.17 56.00 15.00 189 GLY C −38.37 −11.86 56.84 15.00 189 GLY O −38.70 −10.69 57.08 15.00 190 ASN N −39.02 −12.91 57.32 15.00 190 ASN CA −40.22 −12.78 58.13 15.00 190 ASN CB −41.13 −14.00 57.93 15.00 190 ASN CG −42.58 −13.74 58.32 15.00 190 ASN OD1 −42.87 −13.07 59.31 15.00 190 ASN ND2 −43.50 −14.27 57.53 15.00 190 ASN C −39.86 −12.63 59.61 15.00 190 ASN O −39.81 −13.61 60.35 15.00 191 LYS N −39.55 −11.41 60.02 15.00 191 LYS CA −39.19 −11.14 61.41 15.00 191 LYS CB −40.43 −11.19 62.29 15.00 191 LYS CG −41.44 −10.10 61.96 15.00 191 LYS CD −40.92 −8.71 62.35 15.00 191 LYS CE −41.18 −7.63 61.27 15.00 191 LYS NZ −40.19 −7.69 60.13 15.00 191 LYS C −38.10 −12.07 61.94 15.00 191 LYS O −38.11 −12.46 63.11 15.00 192 GLY N −37.15 −12.41 61.07 15.00 192 GLY CA −36.04 −13.26 61.47 15.00 192 GLY C −36.15 −14.73 61.13 15.00 192 GLY O −35.19 −15.48 61.32 15.00 193 TYR N −37.30 −15.16 60.63 15.00 193 TYR CA −37.50 −16.56 60.28 15.00 193 TYR CB −38.69 −17.14 61.04 15.00 193 TYR CG −38.47 −17.29 62.51 15.00 193 TYR CD1 −38.57 −16.19 63.36 15.00 193 TYR CE1 −38.34 −16.32 64.72 15.00 193 TYR CD2 −38.13 −18.51 63.06 15.00 193 TYR CE2 −37.91 −18.65 64.42 15.00 193 TYR CZ −38.01 −17.55 65.24 15.00 193 TYR OH −37.78 −17.71 66.59 15.00 193 TYR C −37.76 −16.73 58.80 15.00 193 TYR O −37.97 −15.76 58.08 15.00 194 ILE N −37.78 −17.99 58.37 15.00 194 ILE CA −38.03 −18.32 56.99 15.00 194 ILE CB −36.75 −18.27 56.13 15.00 194 ILE CG2 −35.65 −19.10 56.76 15.00 194 ILE CG1 −37.06 −18.74 54.72 15.00 194 ILE CD1 −35.95 −18.54 53.75 15.00 194 ILE C −38.65 −19.70 56.88 15.00 194 ILE O −38.20 −20.64 57.S1 15.00 195 LEU N −39.71 −19.79 56.09 15.00 195 LEU CA −40.40 −21.04 55.87 15.00 195 LEU CB −41.91 −20.78 55.71 15.00 195 LEU CG −42.77 −20.89 56.98 15.00 195 LEU CD1 −42.08 −20.31 58.19 15.00 195 LEU CD2 −44.09 −20.19 56.75 15.00 195 LEU C −39.83 −21.68 54.62 15.00 195 LEU O −40.04 −21.19 53.51 15.00 196 MET N −39.05 −22.73 54.81 15.00 196 MET CA −38.44 −23.44 53.70 15.00 196 MET CB −37.01 −23.80 54.04 15.00 196 MET CG −36.11 −22.58 54.16 15.00 196 MET SD −34.46 −22.98 54.73 15.00 196 MET CE −33.78 −23.75 53.28 15.00 196 MET C −39.27 −24.68 53.38 15.00 196 MET O −40.03 −25.14 54.23 15.00 197 ALA N −39.15 −25.19 52.16 15.00 197 ALA CA −39.91 −26.36 51.72 15.00 197 ALA CB −39.86 −26.48 50.19 15.00 197 ALA C −39.51 −27.69 52.36 15.00 197 ALA O −38.33 −28.00 52.50 15.00 198 ARG N −40.52 −28.50 52.67 15.00 198 ARG CA −40.32 −29.81 53.28 15.00 198 ARG CB −41.08 −29.90 54.60 15.00 198 ARG CG −41.09 −31.28 55.23 15.00 198 ARG CD −41.40 −31.21 56.71 15.00 198 ARG NE −42.71 −30.64 57.00 15.00 198 ARG CZ −43.83 −31.35 57.04 15.00 198 ARG NH1 −43.80 −32.66 56.80 15.00 198 ARG NH2 −44.97 −30.76 57.34 15.00 198 ARG C −40.79 −30.90 52.34 15.00 198 ARG O −41.87 −30.81 51.76 15.00 199 ASN N −39.97 −31.93 52.20 15.00 199 ASN CA −40.28 −33.07 51.33 15.00 199 ASN CB −41.68 −33.62 51.60 15.00 199 ASN CG −41.76 −34.41 52.90 15.00 199 ASN OD1 −42.80 −34.44 53.57 15.00 199 ASN ND2 −40.65 −35.05 53.28 15.00 199 ASN C −40.08 −32.78 49.85 15.00 199 ASN O −40.45 −33.59 48.99 15.00 200 LYS N −39.47 −31.65 49.54 15.00 200 LYS CA −39.18 −31.30 48.16 15.00 200 LYS CB −39.18 −29.77 47.95 15.00 200 LYS CG −40.55 −29.15 47.76 15.00 200 LYS CD −41.24 −29.74 46.54 15.00 200 LYS CE −42.64 −29.19 46.34 15.00 200 LYS NZ −43.39 −29.98 45.32 15.00 200 LYS C −37.80 −31.87 47.84 15.00 200 LYS O −36.86 −31.13 47.56 15.00 201 ASN N −37.66 −33.19 48.01 15.00 201 ASN CA −36.40 −33.87 47.72 15.00 201 ASN CB −36.24 −33.99 46.19 15.00 201 ASN CG −35.16 −35.00 45.77 15.00 201 ASN OD1 −35.27 −35.62 44.69 15.00 201 ASN ND2 −34.11 −35.15 46.58 15.00 201 ASN C −35.18 −33.16 48.34 15.00 201 ASN O −34.28 −32.70 47.62 15.00 202 ASN N −35.16 −33.09 49.67 15.00 202 ASN CA −34.05 −32.47 50.41 15.00 202 ASN CB −32.86 −33.43 50.47 15.00 202 ASN CG −31.99 −33.22 51.69 15.00 202 ASN OD1 −32.43 −32.60 52.67 15.00 202 ASN ND2 −30.77 −33.72 51.66 15.00 202 ASN C −33.61 −31.11 49.86 15.00 202 ASN O −32.42 −30.87 49.62 15.00 203 ALA N −34.58 −30.22 49.72 15.00 203 ALA H −35.43 −30.48 50.10 15.00 203 ALA CA −34.36 −28.88 49.17 15.00 203 ALA CB −35.62 −28.06 49.20 15.00 203 ALA C −33.31 −28.14 50.00 15.00 203 ALA O −33.47 −27.92 51.19 15.00 204 CYS N −32.23 −27.75 49.33 15.00 204 CYS CA −31.15 −27.01 49.98 15.00 204 CYS C −30.39 −27.80 51.03 15.00 204 CYS O −29.68 −27.21 51.83 15.00 204 CYS CB −31.68 −25.71 50.61 15.00 204 CYS SG −32.40 −24.49 49.47 15.00 205 GLY N −30.51 −29.13 51.01 15.00 205 GLY CA −29.80 −29.96 51.97 15.00 205 GLY C −30.19 −29.78 53.44 15.00 205 GLY O −29.39 −30.02 54.34 15.00 206 ILE N −31.43 −29.40 53.67 15.00 206 ILE CA −31.94 −29.18 55.01 15.00 206 ILE CB −33.46 −28.88 54.98 15.00 206 ILE CG2 −34.18 −29.93 54.15 15.00 206 ILE CG1 −34.03 −28.79 56.39 15.00 206 ILE CD1 −33.55 −27.60 57.17 15.00 206 ILE C −31.63 −30.32 55.98 15.00 206 ILE O −31.31 −30.07 57.15 15.00 207 ALA N −31.68 −31.56 55.50 15.00 207 ALA CA −31.40 −32.72 56.36 15.00 207 ALA CB −32.50 −33.74 56.24 15.00 207 ALA C −30.07 −33.37 56.02 15.00 207 ALA O −29.89 −34.56 56.21 15.00 208 ASN N −29.11 −32.58 55.55 15.00 208 ASN CA −27.81 −33.10 55.16 15.00 208 ASN CB −27.34 −32.39 53.88 15.00 208 ASN CG −27.15 −33.35 52.72 15.00 208 ASN OD1 −28.12 −33.85 52.15 15.00 208 ASN ND2 −25.90 −33.60 52.36 15.00 208 ASN C −26.72 −33.00 56.22 15.00 208 ASN O −25.66 −33.62 56.10 15.00 209 LEU N −26.96 −32.22 57.27 15.00 209 LEU CA −25.96 −32.06 58.31 15.00 209 LEU CB −24.98 −30.96 57.89 15.00 209 LEU CG −23.69 −30.69 58.67 15.00 209 LEU CD1 −22.77 −31.90 58.61 15.00 209 LEU CD2 −22.99 −29.49 58.09 15.00 209 LEU C −26.63 −31.70 59.63 15.00 209 LEU O −26.11 −30.91 60.41 15.00 210 ALA N −27.79 −32.31 59.90 15.00 210 ALA H −28.15 −32.83 59.17 15.00 210 ALA CA −28.56 −32.01 61.10 15.00 210 ALA CB −29.98 −32.52 60.98 15.00 210 ALA C −27.93 −32.71 62.32 15.00 210 ALA O −27.23 −33.70 62.23 15.00 211 SER N −28.20 −32.12 63.50 15.00 211 SER CA −27.73 −32.66 64.78 15.00 211 SER CB −26.21 −32.55 64.89 15.00 211 SER OG −25.79 −31.20 64.98 15.00 211 SER C −28.38 −31.89 65.92 15.00 211 SER O −28.93 −30.80 65.72 15.00 212 PHE N −28.35 −32.47 67.11 15.00 212 PHE CA −28.93 −31.84 68.28 15.00 212 PHE CB −30.43 −32.16 68.36 15.00 212 PHE CG −30.75 −33.63 68.34 15.00 212 PHE CD1 −31.28 −34.23 67.20 15.00 212 PHE CD2 −30.55 −34.43 69.48 15.00 212 PHE CE1 −31.61 −35.57 67.19 15.00 212 PHE CE2 −30.87 −35.79 69.48 15.00 212 PHE CZ −31.40 −36.35 68.33 15.00 212 PHE C −28.17 −32.36 69.50 15.00 212 PHE O −27.66 −33.48 69.48 15.00 213 PRO N −28.03 −31.54 70.55 15.00 213 PRO CD −28.53 −30.16 70.68 15.00 213 PRO CA −27.32 −31.95 71.76 15.00 213 PRO CB −26.95 −30.61 72.38 15.00 213 PRO CG −28.16 −29.81 72.11 15.00 213 PRO C −28.20 −32.77 72.70 15.00 213 PRO O −29.42 −32.64 72.69 15.00 214 LYS N −27.58 −33.60 73.53 15.00 214 LYS CA −28.32 −34.41 74.49 15.00 214 LYS CB −27.85 −35.85 74.47 15.00 214 LYS CG −28.28 −36.60 73.23 15.00 214 LYS CD −27.98 −38.09 73.30 15.00 214 LYS CE −26.48 −38.39 73.31 15.00 214 LYS NZ −25.86 −38.24 74.66 15.00 214 LYS C −28.17 −33.84 75.89 15.00 214 LYS O −27.07 −33.47 76.29 15.00 215 MET N −29.28 −33.75 76.61 15.00 215 MET CA −29.29 −33.24 77.98 15.00 215 MET CB −30.27 −32.08 78.11 15.00 215 MET CG −29.79 −30.79 77.48 15.00 215 MET SD −28.97 −29.73 78.67 15.00 215 MET CE −30.38 −28.92 79.43 15.00 215 MET C −29.67 −34.33 78.99 15.00 215 MET OT1 −30.25 −35.37 78.59 15.00 215 MET OT2 −29.39 −34.13 80.20 15.00 216 HOH OH2 −21.96 −40.63 81.12 15.00 217 HOH OH2 −30.77 −17.16 67.86 15.00 218 HOH OH2 −30.16 −20.07 64.02 15.00 219 HOH OH2 −3.64 −10.82 59.75 15.00 220 HOH OH2 −13.18 −7.77 71.57 15.00 221 HOH OH2 −34.51 −22.61 70.17 15.00 222 HOH OH2 −18.02 −34.44 65.29 15.00 223 HOH OH2 −17.01 −5.28 69.42 15.00 224 HOH OH2 −24.38 −30.77 62.26 15.00 225 HOH OH2 0.36 −5.40 64.98 15.00 226 HOH OH2 −13.68 −21.42 66.86 15.00 227 HOH OH2 −46.72 −29.80 50.41 15.00 228 HOH OH2 −45.10 −36.23 56.40 15.00 229 HOH OH2 −39.09 −12.35 65.48 15.00 230 HOH OH2 −35.85 −37.05 52.41 15.00 231 HOH OH2 −19.20 −39.14 66.78 15.00 232 HOH OH2 −30.09 −19.72 66.64 15.00 233 HOH OH2 −27.95 −19.50 62.38 15.00 234 HOH OH2 −21.75 −30.29 62.28 15.00 235 HOH OH2 −30.30 −2.55 77.57 15.00 236 HOH OH2 −33.08 −28.99 86.45 15.00 237 HOH OH2 −30.07 −22.68 84.37 15.00 238 HOH OH2 −39.83 −16.82 48.34 15.00 239 HOH OH2 −34.57 −24.95 47.01 15.00 240 HOH OH2 −46.44 −34.07 57.12 15.00 241 HOH OH2 −26.91 −7.02 56.22 15.00 242 HOH OH2 −42.10 −15.05 61.98 15.00 243 HOH OH2 −24.27 −7.11 65.05 15.00 244 HOH OH2 −33.44 −27.69 70.80 15.00 245 HOH OH2 −40.50 −27.38 80.61 15.00 246 HOH OH2 −14.45 −17.44 86.64 15.00 247 HOH OH2 −4.86 −12.23 73.56 15.00 248 HOH OH2 −10.86 −20.50 79.87 15.00 249 HOH OH2 −27.43 −35.04 S9.25 15.00 250 HOH OH2 −35.26 −10.90 53.73 15.00 251 HOH OH2 −31.84 −29.20 46.92 15.00 252 HOH OH2 −42.75 −9.71 40.49 15.00 253 HOH OH2 −41.27 −34.56 56.25 15.00 254 HOH OH2 −44.55 −15.65 65.22 15.00 255 HOH OH2 −32.52 −13.49 60.73 15.00 256 HOH OH2 −39.73 −4.62 63.34 15.00 257 HOH OH2 −25.69 −11.84 70.98 15.00 258 HOH OH2 −31.93 −6.64 63.98 15.00 259 HOH OH2 −19.62 −7.72 62.94 15.00 260 HOH OH2 −33.42 −20.20 70.53 15.00 261 HOH OH2 −12.62 −24.00 79.04 15.00 262 HOH OH2 −9.78 −21.46 77.40 15.00 263 HOH OH2 −6.71 −27.36 80.84 15.00 264 HOH OH2 −21.06 −35.71 57.19 15.00 265 HOH OH2 −26.47 −48.97 59.68 15.00 266 HOH OH2 −14.22 −32.57 69.97 15.00 267 HOH OH2 −11.69 −25.57 76.63 15.00 268 HOH OH2 −17.38 −27.79 86.86 15.00 269 HOH OH2 −22.39 −37.94 70.91 15.00 270 HOH OH2 −10.44 −11.32 63.69 15.00 271 HOH OH2 −8.66 −22.33 72.95 15.00 272 HOH OH2 −29.93 −20.17 48.73 15.00 273 HOH OH2 −22.92 −30.27 39.30 15.00 274 HOH OH2 −33.19 −37.20 49.46 15.00 275 HOH OH2 −28.10 −25.82 41.06 15.00 276 HOH OH2 −35.93 −29.91 44.54 15.00 277 HOH OH2 −37.76 −30.41 51.24 15.00

TABLE VII Table of the orthogonal three dimensional coordinates in Ångstroms and B factors (Å²) for the cathepsin K complex with inhibitor 4-[N- [(phenylmethoxy)carbonyl]-L-leucyl]-1-[N- [(phenylmethoxy)carbonyl]-L-leucyl]-3- pyrrolidinone Residue Atom X Y Z B 1 ALA CB −46.25 −39.17 62.96 30.60 1 ALA C −47.93 −37.51 63.80 29.74 1 ALA O −49.14 −37.57 63.58 32.13 1 ALA N −48.18 −39.83 64.36 28.23 1 ALA CA −47.15 −38.78 64.13 28.86 2 PRO N −47.26 −36.34 63.80 27.19 2 PRO CD −45.94 −36.10 64.40 26.45 2 PRO CA −47.92 −35.06 63.50 27.01 2 PRO CB −47.28 −34.10 64.52 26.65 2 PRO CG −46.25 −34.95 65.31 27.69 2 PRO C −47.73 −34.52 62.09 26.37 2 PRO O −46.67 −34.70 61.50 26.53 3 ASP N −48.76 −33.86 61.58 26.63 3 ASP CA −48.73 −33.23 60.26 24.49 3 ASP CB −50.14 −33.03 59.69 23.94 3 ASP CG −50.75 −34.32 59.17 24.73 3 ASP OD1 −50.19 −34.88 58.21 31.10 3 ASP OD2 −51.79 −34.76 59.71 23.79 3 ASP C −48.03 −31.88 60.39 24.62 3 ASP O −47.08 −31.59 59.67 23.92 4 SER N −48.55 −31.04 61.28 24.05 4 SER CA −47.98 −29.72 61.55 22.83 4 SER CB −49.04 −28.62 61.52 23.29 4 SER OG −49.84 −28.70 60.36 24.54 4 SER C −47.30 −29.75 62.91 23.31 4 SER O −47.71 −30.51 63.79 26.63 5 VAL N −46.27 −28.92 63.09 24.43 5 VAL CA −45.52 −28.80 64.34 22.41 5 VAL CB −44.44 −29.91 64.50 24.60 5 VAL CG1 −43.39 −29.50 65.53 19.58 5 VAL CG2 −45.09 −31.22 64.94 26.54 5 VAL C −44.80 −27.45 64.30 22.72 5 VAL O −44.23 −27.09 63.27 24.78 6 ASP N −44.80 −26.74 65.41 22.25 6 ASP CA −44.17 −25.43 65.48 20.13 6 ASP CB −45.15 −24.34 65.04 20.94 6 ASP CG −44.49 −22.99 64.81 19.46 6 ASP OD1 −43.28 −22.84 65.12 15.02 6 ASP OD2 −45.20 −22.09 64.31 15.42 6 ASP C −43.67 −25.17 66.88 20.15 6 ASP O −44.45 −24.78 67.74 26.96 7 TYR N −42.37 −25.32 67.10 20.70 7 TYR CA −41.82 −25.08 68.42 19.50 7 TYR CB −40.44 −25.71 68.58 22.46 7 TYR CG −40.51 −27.21 68.76 22.69 7 TYR CD1 −40.50 −27.78 70.03 24.39 7 TYR CE1 −40.61 −29.16 70.20 23.01 7 TYR CD2 −40.62 −28.05 67.66 17.84 7 TYR CE2 −40.72 −29.42 67.82 17.55 7 TYR CZ −40.72 −29.97 69.08 16.70 7 TYR OH −40.84 −31.33 69.22 21.92 7 TYR C −41.77 −23.62 68.78 18.59 7 TYR O −41.12 −23.25 69.75 23.10 8 ARG N −42.39 −22.78 67.96 16.73 8 ARG CA −42.44 −21.36 68.25 17.40 8 ARG CB −42.56 −20.52 66.98 19.28 8 ARG CG −41.27 −20.40 66.17 22.66 8 ARG CD −41.41 −19.48 64.98 14.98 8 ARG NE −42.40 −19.99 64.04 17.92 8 ARG CZ −42.59 −19.53 62.81 22.05 8 ARG NH1 −41.85 −18.52 62.36 24.53 8 ARG NH2 −43.50 −20.10 62.03 26.01 8 ARG C −43.64 −21.14 69.17 15.35 8 ARG O −43.52 −20.55 70.24 14.09 9 LYS N −44.77 −21.73 68.79 13.90 9 LYS CA −46.01 −21.63 69.54 13.24 9 LYS CB −47.21 −21.84 68.62 10.93 9 LYS CG −47.27 −20.83 67.48 16.03 9 LYS CD −48.31 −21.19 66.44 13.55 9 LYS CE −49.69 −21.20 67.04 17.52 9 LYS NZ −50.71 −21.24 65.97 18.86 9 LYS C −46.01 −22.61 70.70 15.37 9 LYS O −47.06 −23.10 71.14 15.03 10 LYS N −44.81 −22.90 71.19 17.15 10 LYS CA −44.58 −23.82 72.31 14.97 10 LYS CB −44.10 −25.19 71.81 13.68 10 LYS CG −45.15 −26.06 71.14 17.87 10 LYS CD −44.58 −27.44 70.87 17.96 10 LYS CE −45.67 −28.49 70.71 22.08 10 LYS NZ −45.07 −29.82 70.35 25.39 10 LYS C −43.52 −23.20 73.23 10.83 10 LYS O −43.08 −23.82 74.19 9.39 11 GLY N −43.07 −22.01 72.88 11.15 11 GLY CA −42.08 −21.35 73.70 14.48 11 GLY C −40.71 −21.99 73.69 15.75 11 GLY O −39.92 −21.75 74.60 16.24 12 TYR N −40.41 −22.80 72.67 16.05 12 TYR CA −39.09 −23.44 72.59 15.26 12 TYR CB −39.18 −24.83 71.96 16.85 12 TYR CG −39.84 −25.90 72.80 12.79 12 TYR CD1 −41.22 −26.04 72.82 12.72 12 TYR CE1 −41.82 −27.07 73.52 16.82 12 TYR CD2 −39.08 −26.82 73.50 18.15 12 TYR CE2 −39.67 −27.86 74.20 21.62 12 TYR CZ −41.04 −27.98 74.20 19.19 12 TYR OH −41.63 −29.03 74.89 22.22 12 TYR C −38.08 −22.61 71.81 16.45 12 TYR O −36.89 −22.92 71.82 18.97 13 VAL N −38.55 −21.55 71.16 16.26 13 VAL CA −37.67 −20.71 70.34 17.11 13 VAL CB −38.25 −20.58 68.90 17.86 13 VAL CG1 −37.20 −20.07 67.96 18.97 13 VAL CG2 −38.77 −21.92 68.41 19.17 13 VAL C −37.37 −19.31 70.89 16.02 13 VAL O −38.27 −18.51 71.14 16.61 14 THR N −36.08 −19.01 71.03 15.90 14 THR CA −35.65 −17.71 71.53 20.92 14 THR CB −34.21 −17.77 72.04 22.63 14 THR OG1 −33.33 −18.11 70.97 28.59 14 THR CG2 −34.09 −18.78 73.17 23.81 14 THR C −35.73 −16.67 70.41 25.69 14 THR O −36.01 −17.02 69.26 28.47 15 PRO N −35.50 −15.37 70.73 28.26 15 PRO CD −35.15 −14.82 72.05 27.19 15 PRO CA −35.56 −14.29 69.73 23.60 15 PRO CB −35.29 −13.04 70.58 24.84 15 PRO CG −34.43 −13.55 71.68 26.75 15 PRO C −34.53 −14.44 68.62 19.41 15 PRO O −33.43 −14.94 68.84 15.67 16 VAL N −34.90 −13.96 67.43 16.42 16 VAL CA −34.03 −14.06 66.27 12.13 16 VAL CB −34.77 −13.71 64.95 9.20 16 VAL CG1 −33.84 −13.89 63.77 7.84 16 VAL CG2 −36.01 −14.56 64.78 6.59 16 VAL C −32.81 −13.16 66.39 11.22 16 VAL O −32.93 −11.94 66.44 11.47 17 LYS N −31.65 −13.79 66.45 10.35 17 LYS CA −30.39 −13.07 66.55 9.97 17 LYS CB −29.31 −13.93 67.22 14.75 17 .LYS CG −29.17 −13.71 68.75 10.18 17 LYS CD −30.45 −14.02 69.52 5.48 17 LYS CE −30.69 −15.51 69.66 15.18 17 LYS NZ −29.75 −16.23 70.59 13.03 17 LYS C −29.98 −12.57 65.16 9.61 17 LYS O −30.72 −12.73 64.20 9.93 18 ASN N −28.76 −12.05 65.05 8.91 18 ASN CA −28.28 −11.47 63.80 8.23 18 ASN CB −28.78 −10.03 63.72 10.88 18 ASN CG −28.51 −9.36 62.39 13.91 18 ASN OD1 −27.51 −9.63 61.72 9.48 18 ASN ND2 −29.40 −8.44 62.03 13.48 18 ASN C −26.75 −11.54 63.75 8.02 18 ASN O −26.07 −10.64 64.22 13.56 19 GLN N −26.22 −12.59 63.14 7.59 19 GLN CA −24.78 −12.81 63.06 9.07 19 GLN CB −24.50 −14.08 62.26 11.76 19 GLN CG −24.91 −14.00 60.81 10.58 19 GLN CD −24.73 −15.33 60.11 10.05 19 GLN OE1 −25.69 −16.07 59.88 8.08 19 GLN NE2 −23.49 −15.66 59.80 3.31 19 GLN C −23.84 −11.70 62.60 12.84 19 GLN O −22.65 −11.71 62.95 14.67 20 GLY N −24.33 −10.75 61.81 9.97 20 GLY CA −23.45 −9.68 61.35 9.75 20 GLY C −22.40 −10.16 60.37 9.12 20 GLY O −22.56 −11.21 59.74 14.46 21 GLN N −21.32 −9.40 60.20 10.42 21 GLN CA −20.28 −9.80 59.25 13.95 21 GLN CB −19.55 −8.58 58.66 13.14 21 GLN CG −20.40 −7.79 57.65 12.44 21 GLN CD −20.73 −8.61 56.41 13.48 21 GLN OE1 −19.84 −9.15 55.76 14.90 21 GLN NE2 −22.02 −8.71 56.08 9.41 21 GLN C −19.30 −10.83 59.81 15.26 21 GLN O −18.08 −10.64 59.79 16.33 22 CYS N −19.86 −11.93 60.29 17.72 22 CYS CA −19.10 −13.04 60.86 16.36 22 CYS C −19.82 −14.31 60.40 16.07 22 CYS O −21.05 −14.39 60.44 8.26 22 CYS CB −19.02 −12.91 62.40 16.53 22 CYS SG −18.36 −14.33 63.35 15.48 23 GLY N −19.04 −15.25 59.83 16.86 23 GLY CA −19.59 −16.52 59.35 14.89 23 GLY C −19.67 −17.49 60.52 13.50 23 GLY O −18.91 −18.45 60.61 11.64 24 SER N −20.61 −17.20 61.41 13.66 24 SER CA −20.82 −17.99 62.61 14.12 24 SER CB −20.65 −17.10 63.84 17.06 24 SER OG −21.37 −15.88 63.67 19.58 24 SER C −22.18 −18.67 62.64 14.42 24 SER O −22.63 −19.12 63.69 15.12 25 CYS N −22.83 −18.77 61.48 15.74 25 CYS CA −24.16 −19.38 61.40 12.45 25 CYS CB −24.61 −19.48 59.92 17.82 25 CYS SG −23.46 −20.34 58.77 15.84 25 CYS C −24.23 −20.73 62.12 12.21 25 CYS O −25.27 −21.09 62.66 8.88 25 INH C1 −26.76 −10.18 57.23 37.63 25 INH C2 −25.50 −10.64 57.58 37.16 25 INH C3 −24.85 −11.61 56.79 34.05 25 INH C4 −25.45 −12.12 55.64 32.87 25 INH C5 −26.72 −11.65 55.30 36.05 25 INH C6 −27.38 −10.68 56.09 37.28 25 INH C7 −24.76 −13.16 54.79 31.70 25 INH O8 −24.07 −14.24 55.46 33.18 25 INH C9 −24.20 −15.65 55.36 32.90 25 INH O10 −24.83 −16.33 56.19 27.65 25 INH C11 −23.57 −17.64 54.11 33.43 25 INH C12 −23.56 −17.98 52.63 29.93 25 INH C13 −24.79 −17.58 51.82 30.09 25 INH C14 −24.84 −16.08 51.57 28.76 25 INH C15 −24.70 −18.31 50.53 33.84 25 INH C16 −22.36 −18.24 54.80 34.35 25 INH O17 −21.26 −18.25 54.27 39.78 25 INH N18 −22.58 −18.72 56.02 35.16 25 INH C19 −21.64 −19.29 56.85 29.32 25 INH N20 −23.57 −16.20 54.33 34.33 25 INH C21 −21.16 −20.68 56.54 29.68 25 INH C22 −22.10 −19.32 58.29 26.25 25 INH O23 −22.30 −18.20 58.72 26.33 25 INH C24 −13.39 −26.50 60.06 25.12 25 INH C25 −13.12 −25.19 59.68 26.39 25 INH C26 −14.04 −24.48 58.91 25.10 25 INH C27 −15.23 −25.07 58.52 23.88 25 INH C28 −15.49 −26.37 58.90 24.81 25 INH C29 −14.58 −27.09 59.67 23.22 25 INH C30 −16.20 −24.31 57.66 25.64 25 INH O31 −16.99 −24.94 56.63 26.66 25 INH C32 −18.41 −24.84 56.56 24.33 25 INH O33 −19.08 −25.66 55.96 24.89 25 INH C34 −20.39 −23.56 57.26 25.72 25 INH C35 −21.15 −24.78 57.78 22.12 25 INH C36 −21.80 −25.75 56.80 16.61 25 INH C37 −23.15 −25.25 56.41 15.08 25 INH C38 −21.91 −27.08 57.47 16.77 25 INH C39 −20.56 −22.41 58.25 28.82 25 INH O40 −20.39 −22.62 59.45 37.25 25 INH N41 −20.88 −21.18 57.82 28.59 25 INH C42 −21.00 −20.17 58.81 27.26 25 INH N43 −18.95 −23.81 57.20 25.99 26 TRP N −23.11 −21.45 62.14 14.10 26 TRP CA −23.02 −22.74 62.82 15.29 26 TRP CB −21.66 −23.38 62.56 12.22 26 TRP CG −20.53 −22.49 62.90 15.74 26 TRP CD2 −19.74 −22.52 64.10 17.65 26 TRP CE2 −18.76 −21.51 63.98 15.49 26 TRP CE3 −19.77 −23.30 65.27 18.53 26 TRP CD1 −20.02 −21.49 62.14 16.57 26 TRP NE1 −18.95 −20.90 62.77 17.92 26 TRP CZ2 −17.82 −21.26 64.98 13.72 26 TRP CZ3 −18.83 −23.05 66.26 16.53 26 TRP CH2 −17.87 −22.04 66.11 15.09 26 TRP C −23.24 −22.55 64.32 19.46 26 TRP O −24.09 −23.21 64.92 24.77 27 ALA N −22.52 −21.59 64.90 19.49 27 ALA CA −22.61 −21.25 66.31 12.94 27 ALA CB −21.77 −20.01 66.61 12.05 27 ALA C −24.07 −20.99 66.64 8.35 27 ALA O −24.61 −21.54 67.60 6.75 28 PHE N −24.72 −20.18 65.80 8.07 28 PHE CA −26.13 −19.83 65.95 9.51 28 PHE CB −26.51 −18.67 65.04 7.62 28 PHE CG −25.96 −17.35 65.48 4.72 28 PHE CD1 −24.74 −16.91 65.01 4.11 28 PHE CD2 −26.66 −16.56 66.38 2.92 28 PHE CE1 −24.22 −15.69 65.41 4.53 28 PHE CE2 −26.16 −15.33 66.79 2.38 28 PHE CZ −24.93 −14.89 66.31 2.00 28 PHE C −27.07 −21.01 65.72 10.66 28 PHE O −28.18 −21.04 66.26 14.07 29 SER N −26.64 −21.96 64.89 10.83 29 SER CA −27.44 −23.15 64.62 8.54 29 SER CB −26.92 −23.88 63.37 2.45 29 SER OG −27.80 −24.93 62.97 2.00 29 SER C −27.40 −24.05 65.86 7.86 29 SER O −28.44 −24.46 66.38 6.37 30 SER N −26.19 −24.29 66.36 5.14 30 SER CA −26.00 −25.14 67.52 7.65 30 SER CB −24.52 −25.27 67.84 10.56 30 SER OG −23.81 −25.61 66.67 14.28 30 SER C −26.76 −24.61 68.73 6.72 30 SER O −27.57 −25.32 69.34 8.64 31 VAL N −26.50 −23.35 69.06 6.44 31 VAL CA −27.15 −22.71 70.19 6.61 31 VAL CB −26.73 −21.23 70.25 6.76 31 VAL CG1 −27.74 −20.40 71.03 9.71 31 VAL CG2 −25.35 −21.14 70.90 2.00 31 VAL C −28.67 −22.86 70.18 9.86 31 VAL O −29.25 −23.30 71.17 13.64 32 GLY N −29.30 −22.56 69.05 12.98 32 GLY CA −30.75 −22.68 68.94 9.41 32 GLY C −31.27 −24.10 69.19 10.59 32 GLY O −32.42 −24.29 69.59 8.20 33 ALA N −30.44 −25.10 68.91 11.42 33 ALA CA −30.82 −26.50 69.12 13.15 33 ALA CB −29.82 −27.42 68.47 10.51 33 ALA C −30.86 −26.73 70.64 14.58 33 ALA O −31.87 −27.19 71.19 12.75 34 LEU N −29.75 −26.39 71.29 12.77 34 LEU CA −29.62 −26.51 72.73 12.38 34 LEU CB −28.26 −26.01 73.20 4.32 34 LEU CG −27.04 −26.64 72.57 4.80 34 LEU CD1 −25.82 −25.86 72.95 6.27 34 LEU CD2 −26.92 −28.09 73.01 4.63 34 LEU C −30.73 −25.73 73.43 16.38 34 LEU O −31.32 −26.22 74.39 18.32 35 GLU N −31.00 −24.53 72.95 15.34 35 GLU CA −32.03 −23.71 73.54 15.20 35 GLU CB −32.17 −22.38 72.81 12.21 35 GLU CG −30.92 −21.55 72.88 18.17 35 GLU CD −31.07 −20.22 72.17 21.50 35 GLU OE1 −31.87 −20.14 71.21 23.90 35 GLU OE2 −30.40 −19.25 72.57 22.09 35 GLU C −33.37 −24.43 73.60 18.81 35 GLU O −34.06 −24.37 74.62 23.06 36 GLY N −33.73 −25.11 72.52 19.33 36 GLY CA −35.00 −25.83 72.48 19.77 36 GLY C −34.96 −27.02 73.42 21.74 36 GLY O −35.97 −27.38 74.05 18.02 37 GLN N −33.79 −27.63 73.53 23.70 37 GLN CA −33.61 −28.77 74.41 23.25 37 GLN CB −32.27 −29.48 74.15 22.37 37 GLN CG −32.08 −29.98 72.71 26.26 37 GLN CD −33.38 −30.28 71.94 30.06 37 GLN OE1 −34.20 −31.11 72.36 29.64 37 GLN NE2 −33.58 −29.57 70.83 31.26 37 GLN C −33.73 −28.32 75.86 24.67 37 GLN O −34.51 −28.89 76.62 25.08 38 LEU N −32.99 −27.27 76.22 22.29 38 LEU CA −33.04 −26.73 77.57 23.08 38 LEU CB −32.20 −25.46 77.70 21.38 38 LEU CG −32.11 −24.78 79.07 17.48 38 LEU CD1 −31.77 −25.77 80.17 13.71 38 LEU CD2 −31.07 −23.68 78.99 17.90 38 LEU C −34.47 −26.46 77.99 24.35 38 LEU O −34.92 −26.97 79.01 26.24 39 LYS N −35.20 −25.71 77.17 26.25 39 LYS CA −36.59 −25.41 77.47 28.16 39 LYS CB −37.25 −24.61 76.34 28.65 39 LYS CG −38.35 −23.65 76.81 27.61 39 LYS CD −39.60 −24.37 77.25 27.20 39 LYS CE −40.68 −23.40 77.70 26.81 39 LYS NZ −41.94 −24.12 78.05 28.10 39 LYS C −37.37 −26.69 77.76 26.01 39 LYS O −38.28 −26.70 78.60 25.82 40 LYS N −37.00 −27.77 77.11 26.61 40 LYS CA −37.69 −29.03 77.34 27.03 40 LYS CB −37.64 −29.93 76.11 28.30 40 LYS CG −38.65 −31.06 76.16 29.91 40 LYS CD −38.79 −31.77 74.82 29.72 40 LYS CE −37.74 −32.83 74.61 26.31 40 LYS NZ −38.04 −33.61 73.37 31.45 40 LYS C −37.09 −29.72 78.56 25.36 40 LYS O −37.81 −30.32 79.35 23.91 41 LYS N −35.78 −29.57 78.73 25.39 41 LYS CA −35.06 −30.20 79.84 25.65 41 LYS CB −33.55 −30.06 79.66 24.57 41 LYS CG −32.72 −30.84 80.67 20.75 41 LYS CD −32.89 −32.34 80.50 26.88 41 LYS CE −31.76 −33.13 81.15 28.72 41 LYS NZ −31.63 −32.85 82.61 29.46 41 LYS C −35.50 −29.67 81.19 25.70 41 LYS O −35.92 −30.44 82.06 23.51 42 THR N −35.42 −28.35 81.34 26.91 42 THR CA −35.76 −27.67 82.58 25.94 42 THR CB −34.61 −26.77 83.03 26.05 42 THR OG1 −34.60 −25.58 82.23 27.18 42 THR CG2 −33.28 −27.49 82.85 28.99 42 THR C −37.00 −26.78 82.52 25.00 42 THR O −37.57 −26.43 83.55 28.90 43 GLY N −37.38 −26.35 81.32 24.41 43 GLY CA −38.54 −25.48 81.19 21.01 43 GLY C −38.09 −24.02 81.13 19.83 43 GLY O −38.92 −23.10 81.08 14.91 44 LYS N −36.78 −23.82 81.15 22.11 44 LYS CA −36.16 −22.50 81.10 24.14 44 LYS CB −35.06 −22.38 82.17 26.33 44 LYS CG −35.61 −22.19 83.60 25.46 44 LYS CD −34.54 −22.37 84.69 26.23 44 LYS CE −33.36 −21.39 84.56 26.78 44 LYS NZ −32.26 −21.89 83.66 25.35 44 LYS C −35.63 −22.16 79.70 22.98 44 LYS O −34.86 −22.92 79.12 25.51 45 LEU N −36.06 −21.02 79.17 20.83 45 LEU CA −35.68 −20.55 77.84 14.37 45 LEU CB −36.93 −20.19 77.03 6.57 45 LEU CG −36.73 −19.98 75.54 7.56 45 LEU CD1 −36.34 −21.28 74.88 7.35 45 LEU CD2 −38.01 −19.44 74.92 7.68 45 LEU C −34.73 −19.36 77.92 12.93 45 LEU O −35.17 −18.22 78.02 12.18 46 LEU N −33.43 −19.62 77.91 12.78 46 LEU CA −32.45 −18.55 77.99 16.27 46 LEU CB −31.57 −18.68 79.23 17.06 46 LEU CG −32.20 −18.84 80.61 22.73 46 LEU CD1 −33.29 −17.80 80.80 27.00 46 LEU CD2 −32.76 −20.25 80.75 24.49 46 LEU C −31.59 −18.55 76.75 19.40 46 LEU O −31.38 −19.61 76.15 22.78 47 ASN N −31.05 −17.39 76.39 19.21 47 ASN CA −30.18 −17.27 75.21 16.88 47 ASN CB −30.12 −15.82 74.70 17.63 47 ASN CG −31.41 −15.38 74.02 19.44 47 ASN OD1 −32.47 −15.31 74.64 24.63 47 ASN ND2 −31.33 −15.04 72.74 18.95 47 ASN C −28.78 −17.79 75.50 14.05 47 ASN O −28.08 −17.23 76.36 11.81 48 LEU N −28.39 −18.87 74.83 12.40 48 LEU CA −27.05 −19.46 74.97 13.22 48 LEU CB −27.02 −20.94 74.58 14.23 48 LEU CG −27.64 −22.02 75.50 16.25 48 LEU CD1 −26.96 −22.02 76.87 20.21 48 LEU CD2 −29.13 −21.80 75.67 14.71 48 LEU C −26.08 −18.63 74.14 13.45 48 LEU O −26.51 −17.85 73.29 17.95 49 SER N −24.78 −18.80 74.36 15.33 49 SER CA −23.79 −17.98 73.65 13.70 49 SER CB −22.77 −17.41 74.65 14.72 49 SER OG −21.73 −16.68 74.02 13.12 49 SER C −23.05 −18.50 72.42 14.35 49 SER O −22.14 −19.33 72.52 15.35 50 PRO N −23.38 −17.93 71.24 13.10 50 PRO CD −24.49 −16.99 71.00 13.10 50 PRO CA −22.73 −18.30 69.99 8.82 50 PRO CB −23.41 −17.39 68.98 10.23 50 PRO CG −24.79 −17.23 69.54 10.20 50 PRO C −21.25 −17.95 70.09 7.83 50 PRO O −20.40 −18.65 69.56 7.76 51 GLN N −20.96 −16.86 70.80 8.14 51 GLN CA −19.59 −16.38 70.97 8.89 51 GLN CB −19.58 −14.99 71.62 12.14 51 GLN CG −18.31 −14.16 71.33 13.72 51 GLN CD −18.18 −13.71 69.87 12.95 51 GLN OE1 −19.12 −13.18 69.27 10.44 51 GLN NE2 −16.99 −13.89 69.30 6.01 51 GLN C −18.70 −17.34 71.74 8.59 51 GLN O −17.49 −17.46 71.45 8.17 52 ASN N −19.27 −18.03 72.72 6.61 52 ASN CA −18.50 −19.01 73.49 6.19 52 ASN CB −19.36 −19.58 74.62 6.41 52 ASN CG −18.70 −20.74 75.34 7.63 52 ASN OD1 −19.39 −21.64 75.81 9.07 52 ASN ND2 −17.39 −20.70 75.48 4.94 52 ASN C −18.04 −20.09 72.50 9.66 52 ASN O −16.89 −20.56 72.54 9.03 53 LEU N −18.94 −20.43 71.58 10.50 53 LEU CA −18.69 −21.42 70.54 7.20 53 LEU CB −20.01 −21.83 69.89 6.76 53 LEU CG −20.74 −23.04 70.49 12.00 53 LEU CD1 −20.47 −23.19 71.98 14.61 53 LEU CD2 −22.22 −22.93 70.21 8.55 53 LEU C −17.69 −20.92 69.49 6.03 53 LEU O −16.75 −21.63 69.14 4.01 54 VAL N −17.87 −19.70 69.01 2.00 54 VAL CA −16.99 −19.14 68.00 6.81 54 VAL CB −17.34 −17.67 67.64 7.05 54 VAL CG1 −16.27 −17.07 66.74 13.23 54 VAL CG2 −18.66 −17.58 66.93 5.36 54 VAL C −15.55 −19.15 68.47 12.15 54 VAL O −14.66 −19.63 67.76 16.44 55 ASP N −15.32 −18.59 69.65 15.93 55 ASP CA −13.98 −18.48 70.22 17.26 55 ASP CB −13.98 −17.47 71.37 19.77 55 ASP CG −14.33 −16.06 70.94 22.96 55 ASP OD1 −14.48 −15.78 69.72 24.84 55 ASP OD2 −14.44 −15.21 71.84 23.39 55 ASP C −13.37 −19.78 70.72 18.42 55 ASP O −12.18 −20.06 70.49 12.75 56 CYS N −14.18 −20.55 71.43 20.14 56 CYS CA −13.75 −21.79 72.06 19.35 56 CYS C −13.66 −23.12 71.30 16.79 56 CYS O −13.00 −24.05 71.77 19.07 56 CYS CB −14.52 −21.96 73.37 17.64 56 CYS SG −14.48 −20.45 74.39 15.52 57 VAL N −14.31 −23.23 70.14 14.99 57 VAL CA −14.24 −24.47 69.38 12.09 57 VAL CB −15.48 −24.72 68.51 9.25 57 VAL CG1 −15.37 −26.09 67.85 2.60 57 VAL CG2 −16.75 −24.62 69.34 5.09 57 VAL C −13.02 −24.48 68.47 12.69 57 VAL O −13.04 −23.91 67.39 15.30 58 SER N −11.96 −25.14 68.92 15.12 58 SER CA −10.72 −25.21 68.15 18.94 58 SER CB −9.59 −25.78 69.00 21.08 58 SER OG −9.92 −27.07 69.49 20.89 58 SER C −10.84 −25.98 66.83 19.38 58 SER O −10.00 −25.81 65.94 21.21 59 GLU N −11.83 −26.87 66.74 21.74 59 GLU CA −12.04 −27.68 65.53 20.63 59 GLU CB −12.88 −28.94 65.82 20.59 59 GLU CG −12.48 −29.76 67.06 21.89 59 GLU CD −13.08 −29.21 68.37 21.83 59 GLU OE1 −14.32 −29.11 68.47 25.51 59 GLU OE2 −12.31 −28.90 69.30 26.68 59 GLU C −12.69 −26.87 64.41 19.86 59 GLU O −12.56 −27.21 63.23 21.27 60 ASN N −13.43 −25.83 64.79 16.86 60 ASN CA −14.11 −24.97 63.83 10.64 60 ASN CB −15.49 −24.61 64.33 2.00 60 ASN CG −16.43 −25.78 64.27 6.50 60 ASN CD1 −17.46 −25.83 64.96 3.71 60 ASN ND2 −16.09 −26.75 63.42 3.21 60 ASN C −13.27 −23.76 63.49 13.09 60 ASN O −12.25 −23.51 64.13 14.35 61 ASP N −13.67 −23.01 62.46 14.85 61 ASP CA −12.90 −21.86 62.02 15.28 61 ASP CB −12.74 −21.86 60.51 21.27 61 ASP CG −11.30 −22.08 60.07 23.24 61 ASP OD1 −10.60 −21.08 59.84 26.41 61 ASP OD2 −10.88 −23.25 59.97 20.64 61 ASP C −13.36 −20.50 62.51 15.18 61 ASP O −12.89 −19.47 62.01 13.47 62 GLY N −14.26 −20.50 63.48 15.64 62 GLY CA −14.75 −19.25 64.03 15.74 62 GLY C −15.68 −18.55 63.07 17.26 62 GLY O −16.72 −19.10 62.72 19.72 63 CYS N −15.30 −17.35 62.64 19.00 63 CYS CA −16.14 −16.62 61.70 18.17 63 CYS C −16.00 −17.19 60.29 19.74 63 CYS O −16.79 −16.86 59.41 22.59 63 CYS CB −15.85 −15.11 61.73 16.37 63 CYS SG −16.32 −14.21 63.25 14.06 64 GLY N −15.00 −18.05 60.09 17.99 64 GLY CA −14.81 −18.67 58.79 15.84 64 GLY C −15.66 −19.92 58.60 17.59 64 GLY O −15.50 −20.66 57.63 19.05 65 GLY N −16.59 −20.15 59.53 18.26 65 GLY CA −17.46 −21.31 59.44 12.24 65 GLY C −17.03 −22.45 60.34 10.78 65 GLY O −15.90 −22.47 60.83 9.37 66 GLY N −17.94 −23.40 60.53 8.77 66 GLY CA −17.68 −24.56 61.36 8.46 66 GLY C −18.83 −25.55 61.24 10.14 66 GLY O −19.79 −25.29 60.51 9.60 67 TYR N −18.69 −26.70 61.88 12.33 67 TYR CA −19.74 −27.73 61.84 14.13 67 TYR CB −19.18 −29.12 61.49 14.00 67 TYR CG −18.53 −29.22 60.13 16.82 67 TYR CD1 −19.29 −29.29 58.96 19.29 67 TYR CE1 −18.68 −29.37 57.70 19.34 67 TYR CD2 −17.15 −29.24 60.02 17.85 67 TYR CE2 −16.53 −29.32 58.77 21.15 67 TYR CZ −17.30 −29.39 57.61 22.41 67 TYR OH −16.66 −29.42 56.38 22.94 67 TYR C −20.44 −27.77 63.20 12.95 67 TYR O −19.80 −27.61 64.23 14.93 68 MET N −21.75 −27.98 63.19 14.10 68 MET CA −22.51 −28.01 64.44 11.02 68 MET CB −24.02 −28.04 64.18 7.28 68 MET CG −24.57 −26.75 63.53 12.57 68 MET SD −24.82 −26.81 61.72 9.43 68 MET CE −23.29 −26.23 61.15 5.50 68 MET C −22.07 −29.15 65.34 10.25 68 MET O −21.98 −28.98 66.55 9.78 69 THR N −21.74 −30.30 64.76 11.11 69 THR CA −21.31 −31.45 65.54 9.38 69 THR CB −21.06 −32.69 64.65 7.39 69 THR OG1 −20.19 −32.36 63.55 6.10 69 THR CG2 −22.39 −33.24 64.11 6.49 69 THR C −20.08 −31.11 66.39 8.98 69 THR O −20.06 −31.41 67.57 15.86 70 ASN N −19.09 −30.44 65.81 5.69 70 ASN CA −17.89 −30.06 66.55 7.38 70 ASN CB −16.87 −29.34 65.67 9.34 70 ASN CG −16.43 −30.17 64.49 11.35 70 ASN OD1 −16.13 −29.63 63.43 13.75 70 ASN ND2 −16.38 −31.48 64.66 13.26 70 ASN C −18.26 −29.15 67.71 9.60 70 ASN O −17.68 −29.25 68.79 10.75 71 ALA N −19.24 −28.28 67.47 12.80 71 ALA CA −19.72 −27.33 68.48 15.69 71 ALA CB −20.62 −26.29 67.84 12.87 71 ALA C −20.48 −28.04 69.59 16.01 71 ALA O −20.50 −27.56 70.72 18.32 72 PHE N −21.14 −29.14 69.25 15.89 72 PHE CA −21.91 −29.90 70.23 15.72 72 PHE CB −22.88 −30.85 69.53 12.85 72 PHE CG −24.07 −30.17 68.91 10.89 72 PHE CD1 −24.61 −29.03 69.48 13.23 72 PHE CD2 −24.69 −30.70 67.78 13.69 72 PHE CE1 −25.75 −28.43 68.93 14.17 72 PHE CE2 −25.83 −30.10 67.23 11.57 72 PHE CZ −26.36 −28.96 67.80 8.27 72 PHE C −20.93 −30.66 71.11 17.93 72 PHE O −20.98 −30.59 72.34 16.27 73 GLN N −20.01 −31.36 70.44 19.40 73 GLN CA −18.97 −32.16 71.08 19.37 73 GLN CB −18.09 −32.78 70.00 17.22 73 GLN CG −16.99 −33.70 70.46 19.79 73 GLN CD −16.30 −34.36 69.27 20.51 73 GLN OE1 −16.73 −35.40 68.78 22.61 73 GLN NE2 −15.24 −33.72 68.75 18.71 73 GLN C −18.15 −31.29 72.03 20.01 73 GLN O −17.74 −31.75 73.10 20.37 74 TYR N −17.92 −30.04 71.65 18.39 74 TYR CA −17.16 −29.12 72.48 15.45 74 TYR CB −16.90 −27.79 71.73 13.54 74 TYR CG −16.82 −26.58 72.63 12.20 74 TYR CD1 −15.63 −26.22 73.26 10.63 74 TYR CE1 −15.59 −25.18 74.18 11.99 74 TYR CD2 −17.97 −25.84 72.93 9.97 74 TYR CE2 −17.94 −24.79 73.84 7.22 74 TYR CZ −16.75 −24.47 74.47 11.24 74 TYR OH −16.74 −23.48 75.43 17.85 74 TYR C −17.93 −28.93 73.80 12.38 74 TYR O −17.38 −29.14 74.87 15.74 75 VAL N −19.21 −28.60 73.71 11.39 75 VAL CA −20.05 −28.38 74.88 11.24 75 VAL CB −21.50 −28.06 74.44 8.02 75 VAL CG1 −22.42 −27.95 75.64 6.92 75 VAL CG2 −21.54 −26.76 73.66 9.76 75 VAL C −20.05 −29.59 75.83 16.34 75 VAL O −20.35 −29.45 77.03 11.43 76 GLN N −19.74 −30.76 75.28 18.49 76 GLN CA −19.69 −32.02 76.03 17.15 76 GLN CB −19.98 −33.22 75.11 16.55 76 GLN CG −19.90 −34.60 75.78 17.80 76 GLN CD −20.05 −35.78 74.81 16.42 76 GLN OE1 −19.33 −35.89 73.81 12.60 76 GLN NE2 −20.98 −36.68 75.12 11.09 76 GLN C −18.33 −32.15 76.71 17.72 76 GLN O −18.25 −32.28 77.92 19.51 77 LYS N −17.25 −32.04 75.94 18.51 77 LYS CA −15.91 −32.16 76.50 18.56 77 LYS CB −14.84 −32.18 75.41 18.21 77 LYS CG −14.75 −33.47 74.62 18.16 77 LYS CD −13.48 −33.47 73.77 21.11 77 LYS CE −13.38 −34.69 72.84 22.51 77 LYS NZ −12.02 −34.81 72.23 21.73 77 LYS C −15.58 −31.08 77.52 20.04 77 LYS O −14.76 −31.29 78.42 21.61 78 ASN N −16.20 −29.91 77.36 20.45 78 ASN CA −15.96 −28.79 78.27 19.68 78 ASN CB −15.88 −27.47 77.50 18.78 78 ASN CG −15.19 −26.36 78.30 19.3O 78 ASN OD1 −13.97 −26.34 78.44 16.41 78 ASN ND2 −15.98 −25.40 78.79 20.55 78 ASN C −17.03 −28.73 79.35 18.44 78 ASN O −17.03 −27.83 80.18 20.10 79 ARG N −17.96 −29.68 79.32 16.26 79 ARG CA −19.04 −29.74 80.30 16.53 79 ARG CB −18.53 −30.31 81.63 16.34 79 ARG CG −17.65 −31.54 81.47 17.65 79 ARG CD −16.99 −31.93 82.78 19.26 79 ARG NE −16.03 −33.01 82.58 21.25 79 ARG CZ −14.74 −32.82 82.27 24.36 79 ARG NH1 −14.27 −31.59 82.11 27.69 79 ARG NH2 −13.93 −33.86 82.13 18.73 79 ARG C −19.74 −28.39 80.51 14.94 79 ARG O −19.91 −27.95 81.64 14.77 80 GLY N −20.12 −27.73 79.42 16.45 80 GLY CA −20.82 −26.46 79.56 14.39 80 GLY C −20.59 −25.34 78.56 13.10 80 GLY O −19.49 −25.18 78.00 10.43 81 ILE N −21.64 −24.54 78.38 9.15 81 ILE CA −21.62 −23.39 77.50 7.25 81 ILE CB −22.39 −23.68 76.19 6.85 81 ILE CG2 −23.87 −23.89 76.48 4.07 81 ILE CG1 −22.16 −22.55 75.18 8.21 81 ILE CD1 −23.07 −22.63 73.97 11.83 81 ILE C −22.27 −22.21 78.25 8.64 81 ILE O −23.29 −22.38 78.94 9.51 82 ASP N −21.68 −21.03 78.13 11.32 82 ASP CA −22.20 −19.84 78.81 12.61 82 ASP CB −21.14 −18.75 78.92 10.86 82 ASP CG −19.95 −19.18 79.72 10.55 82 ASP OD1 −18.81 −18.86 79.31 8.90 82 ASP OD2 −20.14 −19.86 80.74 14.89 82 ASP C −23.46 −19.26 78.19 12.50 82 ASP O −23.92 −19.70 77.14 15.36 83 SER N −24.03 −18.28 78.87 11.91 83 SER CA −25.23 −17.61 78.39 12.55 83 SER CB −26.14 −17.24 79.55 18.80 83 SER OG −25.48 −16.36 80.45 22.70 83 SER C −24.78 −16.35 77.64 9.20 83 SER O −23.59 −16.01 77.64 5.74 84 GLU N −25.71 −15.67 76.99 9.19 84 GLU CA −25.33 −14.43 76.31 14.72 84 GLU CB −26.47 −13.88 75.45 13.64 84 GLU CG −26.29 −14.13 73.96 13.53 84 GLU CD −25.09 −13.41 73.36 12.40 84 GLU OE1 −24.88 −12.23 73.68 14.45 84 GLU OE2 −24.38 −14.02 72.56 16.00 84 GLU C −24.86 −13.42 77.35 15.76 84 GLU O −23.85 −12.75 77.16 15.77 85 ASP N −25.57 −13.36 78.49 18.15 85 ASP CA −25.21 −12.45 79.58 18.14 85 ASP CB −26.05 −12.73 80.84 21.42 85 ASP CG −27.47 −12.20 80.72 27.07 85 ASP OD1 −28.43 −12.97 80.98 25.69 85 ASP OD2 −27.63 −11.01 80.38 28.79 85 ASP C −23.73 −12.56 79.90 20.03 85 ASP O −22.98 −11.59 79.78 24.76 86 ALA N −23.32 −13.77 80.28 17.91 86 ALA CA −21.93 −14.08 80.62 16.67 86 ALA CB −21.87 −15.44 81.30 15.93 86 ALA C −20.99 −14.07 79.41 19.50 86 ALA O −19.76 −14.03 79.57 22.48 87 TYR N −21.56 −14.13 78.21 16.64 87 TYR CA −20.72 −14.15 77.01 16.44 87 TYR CB −20.31 −15.59 76.69 12.21 87 TYR CG −18.90 −15.72 76.20 5.93 87 TYR CD1 −18.37 −14.81 75.28 6.36 87 TYR CE1 −17.08 −14.96 74.80 2.57 87 TYR CD2 −18.10 −16.78 76.62 7.25 87 TYR CE2 −16.81 −16.93 76.14 3.11 87 TYR CZ −16.31 −16.01 75.23 2.00 87 TYR OH −15.04 −16.18 74.72 8.83 87 TYR C −21.41 −13.49 75.82 16.77 87 TYR O −21.87 −14.18 74.91 22.23 88 PRO N −21.48 −12.15 75.80 15.42 88 PRO CD −20.91 −11.18 76.74 12.94 88 PRO CA −22.13 −11.44 74.70 13.08 88 PRO CB −21.96 −9.97 75.08 12.38 88 PRO CG −21.82 −10.00 76.55 9.35 88 PRO C −21.49 −11.72 73.35 14.00 88 PRO O −20.33 −12.14 73.27 15.05 89 TYR N −22.25 −11.52 72.28 13.57 89 TYR CA −21.77 −11.73 70.93 14.96 89 TYR CB −22.90 −12.16 69.99 16.79 89 TYR CG −22.46 −12.46 68.56 19.46 89 TYR CD1 −21.64 −13.54 68.28 17.96 89 TYR CE1 −21.26 −13.85 66.98 20.62 89 TYR CD2 −22.90 −11.67 67.49 17.49 89 TYR CE2 −22.53 −11.96 66.17 17.03 89 TYR CZ −21.70 −13.06 65.92 17.44 89 TYR OH −21.28 −13.36 64.65 16.20 89 TYR C −21.11 −10.47 70.39 14.19 89 TYR O −21.79 −9.45 70.23 14.43 90 VAL N −19.80 −10.50 70.18 11.92 90 VAL CA −19.15 −9.33 69.61 12.81 90 VAL CB −17.69 −9.13 70.09 11.22 90 VAL CG1 −17.68 −8.76 71.57 19.09 90 VAL CG2 −16.84 −10.35 69.83 10.92 90 VAL C −19.21 −9.39 68.09 14.23 90 VAL O −19.09 −8.36 67.42 14.19 91 GLY N −19.44 −10.58 67.53 14.09 91 GLY CA −19.52 −10.72 66.09 15.26 91 GLY C −18.16 −10.68 65.44 18.32 91 GLY O −18.01 −10.38 64.24 16.36 92 GLN N −17.16 −11.06 66.23 20.31 92 GLN CA −15.78 −11.06 65.81 20.17 92 GLN CB −15.16 −9.69 66.09 23.65 92 GLN CG −13.83 −9.44 65.42 28.99 92 GLN CD −13.36 −8.00 65.62 34.47 92 GLN OE1 −14.10 −7.15 66.15 34.75 92 GLN NE2 −12.14 −7.72 65.19 37.63 92 GLN C −15.09 −12.17 66.60 20.89 92 GLN O −15.53 −12.53 67.70 18.43 93 GLU N −14.04 −12.73 66.03 22.82 93 GLU CA −13.31 −13.81 66.69 24.92 93 GLU CB −12.63 −14.74 65.66 27.98 93 GLU CG −12.23 −16.10 66.22 29.38 93 GLU CD −12.00 −17.17 65.15 34.25 93 GLU OE1 −12.30 −16.93 63.95 35.80 93 GLU OE2 −11.52 −18.26 65.52 34.14 93 GLU C −12.31 −13.29 67.71 24.19 93 GLU O −11.61 −12.31 67.45 24.56 94 GLU N −12.28 −13.94 68.87 23.61 94 GLU CA −11.38 −13.58 69.96 24.32 94 GLU CB −12.02 −12.55 70.90 22.62 94 GLU CG −12.23 −11.20 70.27 23.90 94 GLU CD −12.86 −10.23 71.21 24.44 94 GLU OE1 −12.18 −9.26 71.60 29.56 94 GLU OE2 −14.04 −10.43 71.57 23.54 94 GLU C −10.99 −14.84 70.73 23.80 94 GLU O −11.64 −15.89 70.59 21.98 95 SER N −9.95 −14.73 71.55 20.75 95 SER CA −9.47 −15.86 72.36 19.71 95 SER CB −8.26 −15.46 73.19 20.00 95 SER OG −8.57 −14.41 74.09 24.28 95 SER C −10.60 −16.38 73.25 20.63 95 SER O −11.48 −15.60 73.65 22.33 96 CYS N −10.56 −17.66 73.58 17.74 96 CYS CA −11.60 −18.26 74.42 18.66 96 CYS C −11.59 −17.72 75.85 19.92 96 CYS O −10.58 −17.79 76.56 21.50 96 CYS CB −11.51 −19.78 74.41 16.39 96 CYS SG −12.75 −20.61 75.44 19.58 97 MET N −12.72 −17.14 76.26 17.89 97 MET CA −12.88 −16.59 77.60 18.67 97 MET CB −12.86 −15.07 77.57 17.60 97 MET CG −12.76 −14.43 78.94 18.29 97 MET SD −11.15 −13.66 79.17 26.40 97 MET CE −9.99 −15.01 78.76 19.16 97 MET C −14.18 −17.09 78.20 21.66 97 MET O −15.07 −16.31 78.52 25.61 98 TYR N −14.30 −18.41 78.29 23.47 98 TYR CA −15.49 −19.06 78.83 23.75 98 TYR CB −15.58 −20.50 78.30 21.70 98 TYR CG −16.39 −21.46 79.13 18.51 98 TYR CD1 −17.74 −21.64 78.90 18.20 98 TYR CE1 −18.49 −22.49 79.70 19.99 98 TYR CD2 −15.80 −22.16 80.17 16.39 98 TYR CE2 −16.53 −23.01 80.97 12.68 98 TYR CZ −17.87 −23.17 80.74 16.90 98 TYR OH −18.60 −23.99 81.57 22.57 98 TYR C −15.48 −19.01 80.37 26.07 98 TYR O −14.44 −19.23 80.99 27.32 99 ASN N −16.63 −18.67 80.96 28.21 99 ASN CA −16.76 −18.59 82.42 27.40 99 ASN CB −17.24 −17.20 82.85 30.57 99 ASN CG −17.89 −17.21 84.22 33.86 99 ASN OD1 −19.06 −16.84 84.36 33.41 99 ASN ND2 −17.16 −17.66 85.24 34.39 99 ASN C −17.67 −19.66 83.03 25.48 99 ASN O −18.88 −19.64 82.82 25.31 100 PRO N −17.12 −20.53 83.87 22.21 100 PRO CD −15.70 −20.60 84.27 21.06 100 PRO CA −17.89 −21.60 84.50 19.72 100 PRO CB −16.89 −22.18 85.49 21.18 100 PRO CG −15.58 −22.01 84.75 22.13 100 PRO C −19.14 −21.08 85.22 19.80 100 PRO O −20.22 −21.65 85.09 15.82 101 THR N −18.98 −19.97 85.92 22.73 101 THR CA −20.07 −19.36 86.68 23.85 101 THR CB −19.53 −18.25 87.60 22.86 101 THR OG1 −18.13 −18.47 87.87 20.58 101 THR CG2 −20.28 −18.26 88.92 21.48 101 THR C −21.22 −18.80 85.82 24.75 101 THR O −22.30 −18.46 86.33 22.15 102 GLY N −20.96 −18.70 84.51 25.15 102 GLY CA −21.96 −18.20 83.59 21.81 102 GLY C −22.72 −19.34 82.94 19.11 102 GLY O −23.78 −19.12 82.36 19.57 103 LYS N −22.15 −20.55 83.03 18.20 103 LYS CA −22.73 −21.77 82.47 16.81 103 LYS CB −22.08 −23.02 83.07 16.94 103 LYS CG −22.90 −24.30 82.93 15.32 103 LYS CD −22.03 −25.53 83.10 18.87 103 LYS CE −21.32 −25.57 84.46 21.19 103 LYS NZ −20.02 −26.34 84.40 20.74 103 LYS C −24.24 −21.83 82.62 17.92 103 LYS O −24.78 −21.68 83.72 18.81 104 ALA N −24.92 −22.05 81.50 17.95 104 ALA CA −26.38 −22.11 81.49 17.78 104 ALA CB −26.93 −21.14 80.47 21.54 104 ALA C −26.84 −23.52 81.18 18.07 104 ALA O −27.99 −23.88 81.47 16.81 105 ALA N −25.95 −24.31 80.58 15.87 105 ALA CA −26.27 −25.69 80.23 13.04 105 ALA CB −27.41 −25.72 79.22 10.01 105 ALA C −25.05 −26.40 79.66 11.95 105 ALA O −23.94 −25.86 79.68 8.46 106 LYS N −25.27 −27.63 79.20 12.25 106 LYS CA −24.24 −28.45 78.57 18.76 106 LYS CB −23.26 −29.07 79.58 23.73 106 LYS CG −23.89 −30.02 80.60 26.39 106 LYS CD −22.88 −31.05 81.09 29.44 106 LYS CE −23.54 −32.05 82.06 33.28 106 LYS NZ −24.76 −32.74 81.51 24.10 106 LYS C −24.95 −29.54 77.77 18.52 106 LYS O −26.18 −29.49 77.64 16.87 107 CYS N −24.21 −30.50 77.22 19.97 107 CYS CA −24.81 −31.59 76.45 21.83 107 CYS CB −25.13 −31.16 75.00 23.15 107 CYS SG −23.72 −30.88 73.87 21.75 107 CYS C −23.98 −32.87 76.48 22.08 107 CYS O −22.75 −32.84 76.60 21.41 108 ARG N −24.66 −34.00 76.40 22.61 108 ARG CA −23.96 −35.28 76.44 25.98 108 ARG CB −24.57 −36.18 77.53 25.00 108 ARG CG −24.76 −35.44 78.85 19.33 108 ARG CD −25.24 −36.32 79.99 17.89 108 ARG NE −26.61 −36.80 79.81 10.20 108 ARG CZ −27.00 −38.02 80.15 9.00 108 ARG NH1 −26.12 −38.88 80.68 6.62 108 ARG NH2 −28.26 −38.39 79.99 10.32 108 ARG C −23.91 −35.98 75.08 23.86 108 ARG O −24.38 −37.10 74.94 25.08 109 GLY N −23.34 −35.29 74.10 23.61 109 GLY CA −23.21 −35.84 72.76 20.68 109 GLY C −24.30 −35.35 71.82 18.95 109 GLY O −25.15 −34.56 72.22 19.25 110 TYR N −24.29 −35.85 70.58 18.18 110 TYR CA −25.27 −35.46 69.57 17.03 110 TYR CB −24.72 −34.38 68.64 14.76 110 TYR CG −23.48 −34.81 67.90 12.25 110 TYR CD1 −22.21 −34.48 68.37 14.76 110 TYR CE1 −21.06 −34.95 67.75 14.89 110 TYR CD2 −23.56 −35.61 66.78 12.73 110 TYR CE2 −22.41 −36.08 66.14 15.02 110 TYR CZ −21.17 −35.75 66.64 17.33 110 TYR OH −20.03 −36.26 66.03 22.26 110 TYR C −25.70 −36.67 68.75 16.81 110 TYR O −25.01 −37.69 68.73 19.27 111 ARG N −26.83 −36.53 68.07 16.77 111 ARG CA −27.34 −37.57 67.19 18.25 111 ARG CB −28.73 −38.08 67.60 20.39 111 ARG CG −29.51 −38.81 66.48 21.92 111 ARG CD −28.94 −40.20 66.16 26.51 111 ARG NE −29.54 −40.85 64.98 25.17 111 ARG CZ −28.83 −41.49 64.03 26.40 111 ARG NH1 −27.50 −41.55 64.12 21.95 111 ARG NH2 −29.45 −42.10 63.02 18.73 111 ARG C −27.43 −36.92 65.81 20.54 111 ARG O −27.88 −35.77 65.69 23.20 112 GLU N −26.95 −37.62 64.79 17.24 112 GLU CA −27.01 −37.12 63.42 13.69 112 GLU CB −25.70 −37.34 62.69 12.60 112 GLU CG −24.59 −36.38 63.05 10.04 112 GLU CD −23.25 −36.92 62.62 11.35 112 GLU OE1 −22.50 −36.23 61.89 10.65 112 GLU OE2 −22.97 −38.06 63.01 14.44 112 GLU C −28.15 −37.85 62.72 15.47 112 GLU O −28.49 −38.97 63.09 17.83 113 ILE N −28.72 −37.25 61.70 17.43 113 ILE CA −29.82 −37.87 60.96 14.32 113 ILE CB −30.99 −36.87 60.90 13.01 113 ILE CG2 −32.04 −37.32 59.87 11.54 113 ILE CG1 −31.55 −36.70 62.33 10.24 113 ILE CD1 −32.35 −35.44 62.57 7.36 113 ILE C −29.38 −38.34 59.57 12.75 113 ILE O −28.59 −37.68 58.91 11.81 114 PRO N −29.83 −39.53 59.13 15.44 114 PRO CD −30.82 −40.40 59.80 19.88 114 PRO CA −29.47 −40.08 57.81 15.21 114 PRO CB −30.54 −41.13 57.59 15.21 114 PRO CG −30.79 −41.66 58.96 16.85 114 PRO C −29.53 −39.00 56.73 18.58 114 PRO O −30.52 −38.27 56.64 21.69 115 GLU N −28.49 −38.91 55.91 17.93 115 GLU CA −28.45 −37.90 54.87 18.15 115 GLU CB −27.12 −37.95 54.11 21.41 115 GLU CG −27.04 −39.05 53.06 28.55 115 GLU CD −25.73 −39.04 52.26 34.52 115 GLU OE1 −25.24 −37.94 51.90 34.27 115 GLU OE2 −25.21 −40.14 51.99 34.99 115 GLU C −29.63 −37.99 53.90 20.57 115 GLU O −30.10 −39.08 53.56 20.47 116 GLY N −30.13 −36.82 53.51 21.25 116 GLY CA −31.24 −36.73 52.58 19.05 116 GLY C −32.59 −37.14 53.12 19.97 116 GLY O −33.62 −36.74 52.56 24.15 117 ASN N −32.62 −37.87 54.23 17.37 117 ASN CA −33.90 −38.33 54.77 15.93 117 ASN CB −33.73 −39.57 55.64 10.26 117 ASN CG −35.03 −40.34 55.79 12.00 117 ASN OD1 −36.12 −39.76 55.79 10.30 117 ASN ND2 −34.92 −41.66 55.91 13.10 117 ASN C −34.73 −37.30 55.49 17.41 117 ASN O −34.57 −37.09 56.70 18.71 118 GLU N −35.66 −36.70 54.77 15.53 118 GLU CA −36.56 −35.71 55.34 15.33 118 GLU CB −37.27 −34.93 54.25 15.94 118 GLU CG −36.37 −34.00 53.46 22.20 118 GLU CD −37.14 −33.16 52.46 21.94 118 GLU OE1 −37.27 −33.58 51.29 25.99 118 GLU OE2 −37.64 −32.08 52.85 25.26 118 GLU C −37.57 −36.30 56.33 18.60 118 GLU O −38.02 −35.60 57.23 23.43 119 LYS N −37.93 −37.57 56.17 19.21 119 LYS CA −38.89 −38.21 57.08 17.16 119 LYS CB −39.39 −39.55 56.54 18.23 119 LYS CG −40.29 −39.44 55.34 23.03 119 LYS CD −41.48 −38.55 55.62 24.88 119 LYS CE −41.85 −37.77 54.36 33.17 119 LYS NZ −40.65 −37.07 53.78 35.51 119 LYS C −38.30 −38.39 58.44 13.83 119 LYS O −38.99 −38.27 59.45 14.48 120 ALA N −37.02 −38.74 58.47 11.43 120 ALA CA −36.30 −38.93 59.71 11.35 120 ALA CB −34.91 −39.44 59.43 12.94 120 ALA C −36.23 −37.57 60.34 14.11 120 ALA O −36.49 −37.41 61.53 20.36 121 LEU N −35.94 −36.57 59.52 14.09 121 LEU CA −35.84 −35.19 59.98 14.37 121 LEU CB −35.35 −34.28 58.86 11.45 121 LEU CG −35.11 −32.82 59.20 13.53 121 LEU CD1 −34.22 −32.69 60.44 17.91 121 LEU CD2 −34.49 −32.13 57.98 13.43 121 LEU C −37.17 −34.71 60.57 14.14 121 LEU O −37.19 −34.08 61.63 17.50 122 LYS N −38.28 −35.01 59.90 14.51 122 LYS CA −39.61 −34.63 60.36 14.97 122 LYS CB −40.67 −34.97 59.32 15.25 122 LYS CG −42.09 −34.67 59.75 15.73 122 LYS CD −43.09 −35.54 59.00 15.63 122 LYS CE −44.48 −35.36 59.56 22.12 122 LYS NZ −45.45 −36.35 59.02 25.27 122 LYS C −39.93 −35.32 61.69 17.92 122 LYS O −40.58 −34.74 62.58 15.41 123 ARG N −39.51 −36.57 61.80 20.19 123 ARG CA −39.71 −37.36 63.00 24.53 123 ARG CB −39.36 −38.82 62.76 26.04 123 ARG CG −40.37 −39.57 61.92 29.94 123 ARG CD −39.79 −40.87 61.39 33.27 123 ARG NE −38.98 −41.56 62.39 38.93 123 ARG CZ −37.67 −41.79 62.26 38.64 123 ARG NH1 −37.03 −41.37 61.18 39.92 123 ARG NH2 −37.00 −42.45 63.20 34.71 123 ARG C −38.89 −36.77 64.14 25.64 123 ARG C −39.33 −36.76 65.30 25.72 124 ALA N −37.70 −36.26 63.80 23.74 124 ALA CA −36.80 −35.64 64.77 25.05 124 ALA CB −35.49 −35.23 64.09 22.46 124 ALA C −37.48 −34.41 65.37 24.90 124 ALA O −37.50 −34.23 66.59 25.58 125 VAL N −38.02 −33.57 64.50 25.44 125 VAL CA −38.69 −32.35 64.92 24.60 125 VAL CB −39.08 −31.46 63.72 20.30 125 VAL CG1 −39.85 −30.23 64.19 13.27 125 VAL CG2 −37.80 −31.05 62.95 19.58 125 VAL C −39.93 −32.66 65.73 24.17 125 VAL O −40.19 −32.01 66.73 26.08 126 ALA N −40.69 −33.66 65.32 25.26 126 ALA CA −41.90 −34.00 66.05 26.85 126 ALA CB −42.65 −35.08 65.34 27.49 126 ALA C −41.59 −34.41 67.50 28.51 126 ALA O −42.22 −33.91 68.43 29.45 127 ARG N −40.60 −35.30 67.68 27.15 127 ARG CA −40.20 −35.80 69.01 26.50 127 ARG CB −39.52 −37.17 68.92 25.80 127 ARG CG −40.36 −38.31 68.39 29.17 127 ARG CD −41.39 −38.82 69.38 30.20 127 ARG NE −42.01 −40.06 68.90 31.67 127 ARG CZ −43.14 −40.57 69.38 31.87 127 ARG NH1 −43.62 −41.70 68.87 32.34 127 ARG NH2 −43.80 −39.97 70.36 33.34 127 ARG C −39.30 −34.88 69.83 26.63 127 ARG O −39.61 −34.54 70.98 29.49 128 VAL N −38.13 −34.58 69.27 24.07 128 VAL CA −37.14 −33.75 69.93 20.27 128 VAL CB −35.74 −33.96 69.29 17.18 128 VAL CG1 −34.73 −33.00 69.87 16.62 128 VAL CG2 −35.27 −35.40 69.51 16.17 128 VAL C −37.51 −32.28 69.92 19.91 128 VAL O −38.00 −31.75 70.91 21.31 129 GLY N −37.26 −31.63 68.79 21.40 129 GLY CA −37.56 −30.22 68.67 18.08 129 GLY C −36.62 −29.60 67.67 17.76 129 GLY O −36.22 −30.27 66.71 14.46 130 PRO N −36.25 −28.33 67.86 18.11 130 PRO CD −36.68 −27.44 68.96 20.59 130 PRO CA −35.35 −27.64 66.94 17.36 130 PRO CB −35.03 −26.36 67.70 17.67 130 PRO CG −36.33 −26.07 68.41 19.12 130 PRO C −34.10 −28.47 66.69 18.18 130 PRO O −33.43 −28.92 67.63 21.49 131 VAL N −33.81 −28.71 65.41 14.71 131 VAL CA −32.66 −29.47 64.99 10.15 131 VAL CB −33.09 −30.69 64.16 13.09 131 VAL CG1 −31.88 −31.39 63.55 14.17 131 VAL CG2 −33.88 −31.63 65.02 19.95 131 VAL C −31.80 −28.60 64.10 10.57 131 VAL O −32.33 −27.86 63.27 13.19 132 SER N −30.49 −28.71 64.25 7.45 132 SER CA −29.59 −27.93 63.42 7.72 132 SER CB −28.23 −27.81 64.07 9.68 132 SER OG −28.37 −27.45 65.44 20.96 132 SER C −29.48 −28.55 62.02 6.88 132 SER O −29.18 −29.74 61.86 4.58 133 VAL N −29.75 −27.75 61.00 7.92 133 VAL CA −29.68 −28.20 59.62 6.47 133 VAL CB −31.09 −28.35 59.00 6.27 133 VAL CG1 −31.92 −29.35 59.80 5.31 133 VAL CG2 −31.80 −27.00 58.93 2.32 133 VAL C −28.88 −27.20 58.78 6.11 133 VAL O −28.93 −25.99 59.01 4.92 134 ALA N −28.09 −27.71 57.85 8.55 134 ALA CA −27.29 −26.90 56.94 10.56 134 ALA CB −25.90 −27.49 56.80 10.48 134 ALA C −28.01 −26.89 55.59 11.28 134 ALA O −28.61 −27.91 55.19 10.70 135 ILE N −28.00 −25.75 54.91 5.87 135 ILE CA −28.65 −25.64 53.61 9.02 135 ILE CB −30.05 −25.04 53.75 9.82 135 ILE CG2 −30.96 −25.98 54.52 8.18 135 ILE CG1 −29.97 −23.67 54.42 7.95 135 ILE CD1 −31.24 −22.87 54.30 5.36 135 ILE C −27.84 −24.75 52.67 10.58 135 ILE O −26.82 −24.17 53.08 11.83 136 ASP N −28.27 −24.67 51.41 14.26 136 ASP CA −27.64 −23.83 50.39 12.77 136 ASP CB −27.59 −24.54 49.03 11.56 136 ASP CG −27.29 −23.58 47.87 11.70 136 ASP OD1 −27.82 −23.80 46.77 16.82 136 ASP OD2 −26.54 −22.61 48.06 6.89 136 ASP C −28.44 −22.53 50.29 11.76 136 ASP O −29.51 −22.50 49.69 12.86 137 ALA N −27.90 −21.45 50.83 12.10 137 ALA CA −28.63 −20.19 50.80 14.12 137 ALA CB −28.77 −19.64 52.22 16.96 137 ALA C −28.02 −19.14 49.87 15.39 137 ALA O −28.27 −17.94 50.04 11.83 138 SER N −27.20 −19.57 48.91 16.46 138 SER CA −26.56 −18.66 47.96 16.14 138 SER CB −25.45 −19.36 47.17 13.20 138 SER OG −25.91 −20.60 46.65 11.80 138 SER C −27.54 −17.97 47.02 17.22 138 SER O −27.42 −16.77 46.74 16.85 139 LEU N −28.50 −18.75 46.53 11.84 139 LEU CA −29.51 −18.24 45.62 10.88 139 LEU CB −30.62 −19.27 45.41 10.28 139 LEU CG −30.39 −20.25 44.25 7.79 139 LEU CD1 −28.98 −20.81 44.28 16.09 139 LEU CD2 −31.39 −21.35 44.31 6.66 139 LEU C −30.07 −16.90 46.07 10.95 139 LEU O −30.56 −16.77 47.18 10.84 140 THR N −29.98 −15.89 45.20 12.65 140 THR CA −30.48 −14.56 45.55 10.04 140 THR CB −30.04 −13.47 44.54 8.74 140 THR OG1 −30.71 −13.68 43.29 16.41 140 THR CG2 −28.52 −13.50 44.33 5.90 140 THR C −31.98 −14.51 45.76 7.53 140 THR O −32.51 −13.48 46.16 7.86 141 SER N −32.69 −15.60 45.48 7.62 141 SER CA −34.13 −15.60 45.71 10.59 141 SER CB −34.81 −16.69 44.90 7.78 141 SER OG −34.14 −17.92 45.09 10.19 141 SER C −34.32 −15.81 47.21 14.46 141 SER O −35.31 −15.38 47.80 15.07 142 PHE N −33.33 −16.47 47.81 16.29 142 PHE CA −33.32 −16.75 49.24 18.29 142 PHE CB −32.26 −17.80 49.57 19.91 142 PHE CG −32.23 −18.22 51.01 19.34 142 PHE CD1 −32.83 −19.42 51.40 19.10 142 PHE CD2 −31.58 −17.44 51.96 17.86 142 PHE CE1 −32.77 −19.84 52.72 18.29 142 PHE CE2 −31.52 −17.86 53.29 16.09 142 PHE CZ −32.12 −19.06 53.67 17.03 142 PHE C −33.04 −15.46 49.98 18.87 142 PHE O −33.70 −15.13 50.96 20.82 143 GLN N −32.06 −14.71 49.48 17.89 143 GLN CA −31.69 −13.46 50.11 17.94 143 GLN CB −30.35 −12.98 49.56 20.86 143 GLN CG −29.29 −14.07 49.66 27.97 143 GLN CD −27.96 −13.66 49.06 35.25 143 GLN OE1 −27.88 −12.65 48.36 42.66 143 GLN NE2 −26.91 −14.44 49.35 32.14 143 GLN C −32.77 −12.40 49.97 16.38 143 GLN O −32.78 −11.43 50.72 21.06 144 PHE N −33.71 −12.62 49.07 16.70 144 PHE CA −34.81 −11.68 48.86 16.93 144 PHE CB −34.83 −11.16 47.42 14.35 144 PHE CG −33.63 −10.34 47.06 9.94 144 PHE CD1 −33.23 −9.28 47.87 7.40 144 PHE CD2 −32.87 −10.63 45.94 11.47 144 PHE CE1 −32.09 −8.54 47.58 2.23 144 PHE CE2 −31.73 −9.89 45.63 11.16 144 PHE CZ −31.34 −8.85 46.45 5.01 144 PHE C −36.15 −12.29 49.26 19.07 144 PHE O −37.21 −11.75 48.94 23.82 145 TYR N −36.10 −13.42 49.95 21.54 145 TYR CA −37.31 −14.10 50.39 20.66 145 TYR CB −36.98 −15.43 51.09 19.50 145 TYR CG −38.13 −16.04 51.85 20.41 145 TYR CD1 −38.96 −16.98 51.25 22.31 145 TYR CE1 −40.05 −17.51 51.93 23.37 145 TYR CD2 −38.43 −15.64 53.15 19.98 145 TYR CE2 −39.52 −16.16 53.84 20.51 145 TYR CZ −40.33 −17.09 53.22 22.20 145 TYR OH −41.42 −17.60 53.89 24.45 145 TYR C −38.13 −13.18 51.31 19.31 145 TYR O −37.57 −12.41 52.09 16.29 146 SER N −39.44 −13.29 51.23 19.16 146 SER CA −40.31 −12.46 52.05 18.38 146 SER CB −40.69 −11.17 51.33 21.74 146 SER OG −41.24 −11.45 50.05 25.62 146 SER C −41.55 −13.21 52.52 17.33 146 SER O −41.87 −13.19 53.70 17.00 147 LYS N −42.21 −13.90 51.60 15.30 147 LYS CA −43.42 −14.63 51.94 16.47 147 LYS CB −44.65 −13.72 51.85 21.13 147 LYS CG −45.98 −14.43 52.13 26.90 147 LYS CD −47.15 −13.75 51.41 31.88 147 LYS CE −48.38 −14.69 51.35 38.13 147 LYS NZ −49.45 −14.23 50.41 36.35 147 LYS C −43.61 −15.88 51.09 16.19 147 LYS O −43.21 −15.91 49.92 18.85 148 GLY N −44.20 −16.91 51.69 14.07 148 GLY CA −44.47 −18.14 50.98 13.24 148 GLY C −43.46 −19.26 51.17 12.23 148 GLY O −42.39 −19.05 51.74 11.43 149 VAL N −43.82 −20.45 50.71 9.32 149 VAL CA −42.95 −21.61 50.81 8.20 149 VAL CB −43.70 −22.96 50.60 5.83 149 VAL CG1 −42.72 −24.11 50.73 2.00 149 VAL CG2 −44.82 −23.12 51.61 4.34 149 VAL C −41.92 −21.43 49.70 11.54 149 VAL O −42.25 −21.45 48.50 12.48 150 TYR N −40.68 −21.21 50.13 12.91 150 TYR CA −39.55 −21.02 49.24 10.42 150 TYR CB −38.33 −20.58 50.03 4.78 150 TYR CG −37.10 −20.42 49.19 8.23 150 TYR CD1 −36.83 −19.21 48.55 10.09 150 TYR CE1 −35.68 −19.06 47.77 11.54 150 TYR CD2 −36.21 −21.47 49.02 8.80 150 TYR CE2 −35.07 −21.33 48.24 9.65 150 TYR CZ −34.81 −20.13 47.62 10.30 150 TYR OH −33.67 −19.97 46.88 18.73 150 TYR C −39.27 −22.30 48.46 14.00 150 TYR O −39.45 −23.40 48.96 16.63 151 TYR N −38.79 −22.13 47.24 15.66 151 TYR CA −38.48 −23.25 46.37 17.45 151 TYR CB −39.74 −24.04 46.01 21.54 151 TYR CG −39.53 −25.25 45.13 23.93 151 TYR CD1 −38.93 −26.42 45.64 28.17 151 TYR CE1 −38.74 −27.54 44.83 29.69 151 TYR CD2 −39.94 −25.25 43.80 26.78 151 TYR CE2 −39.76 −26.36 42.99 29.59 151 TYR CZ −39.16 −27.50 43.51 32.44 151 TYR OH −38.99 −28.60 42.70 37.61 151 TYR C −37.85 −22.60 45.15 18.03 151 TYR O −38.32 −21.56 44.68 16.75 152 ASP N −36.76 −23.17 44.68 19.75 152 ASP CA −36.05 −22.64 43.52 21.69 152 ASP CB −35.07 −21.53 43.91 21.35 152 ASP CG −34.48 −20.80 42.70 22.73 152 ASP OD1 −34.58 −19.56 42.63 20.20 152 ASP OD2 −33.90 −21.46 41.82 23.61 152 ASP C −35.33 −23.85 42.96 25.58 152 ASP O −34.67 −24.57 43.72 28.85 153 GLU N −35.50 −24.09 41.66 26.65 153 GLU CA −34.86 −25.25 41.03 26.63 153 GLU CB −35.52 −25.57 39.69 30.19 153 GLU CG −36.09 −24.38 38.92 34.99 153 GLU CD −35.04 −23.61 38.15 37.99 153 GLU OE1 −34.95 −22.38 38.34 40.14 153 GLU OE2 −34.31 −24.24 37.34 40.23 153 GLU C −33.34 −25.20 40.91 24.39 153 GLU O −32.71 −26.22 40.70 23.54 154 SER N −32.75 −24.02 41.11 23.15 154 SER CA −31.30 −23.83 41.04 25.05 154 SER CB −30.95 −22.35 40.85 24.11 154 SER OG −31.81 −21.71 39.91 26.07 154 SER C −30.53 −24.38 42.26 25.62 154 SER O −29.37 −24.78 42.15 26.42 155 CYS N −31.19 −24.33 43.43 24.27 155 CYS CA −30.63 −24.77 44.71 19.73 155 CYS C −29.88 −26.08 44.59 17.05 155 CYS O −30.44 −27.08 44.16 14.86 155 CYS CB −31.72 −24.87 45.79 20.11 155 CYS SG −31.27 −24.12 47.40 19.94 156 ASN N −28.61 −26.07 44.99 19.11 156 ASN CA −27.76 −27.26 44.92 21.62 156 ASN CB −26.37 −26.87 44.41 19.84 156 ASN CG −25.47 −28.06 44.20 20.15 156 ASN OD1 −25.86 −29.20 44.44 15.60 156 ASN ND2 −24.23 −27.80 43.77 19.95 156 ASN C −27.67 −28.05 46.24 22.71 156 ASN O −27.08 −27.58 47.21 23.56 157 SER N −28.20 −29.28 46.23 22.09 157 SER CA −28.22 −30.17 47.40 16.83 157 SER CB −28.93 −31.49 47.06 14.81 157 SER OG −30.26 −31.26 46.66 19.44 157 SER C −26.86 −30.49 48.02 17.43 157 SER O −26.78 −31.10 49.10 16.02 158 ASP N −25.79 −30.19 47.30 17.73 158 ASP CA −24.46 −30.46 47.80 20.40 158 ASP CB −23.70 −31.42 46.88 24.69 158 ASP CG −24.27 −32.82 46.89 27.15 158 ASP OD1 −24.93 −33.19 45.88 26.00 158 ASP OD2 −24.08 −33.55 47.90 26.52 158 ASP C −23.68 −29.19 48.00 20.27 158 ASP O −22.46 −29.22 48.16 20.24 159 ASN N −24.39 −28.07 47.97 17.11 159 ASN CA −23.72 −26.81 48.19 16.88 159 ASN CB −24.01 −25.79 47.10 18.24 159 ASN CG −23.00 −24.66 47.10 21.17 159 ASN OD1 −21.83 −24.86 47.42 16.98 159 ASN ND2 −23.46 −23.46 46.75 22.38 159 ASN C −24.12 −26.28 49.55 17.56 159 ASN O −24.64 −25.17 49.67 19.13 160 LEU N −23.93 −27.12 50.57 12.99 160 LEU CA −24.23 −26.73 51.94 8.24 160 LEU CB −24.00 −27.89 52.89 4.68 160 LEU CG −25.09 −28.95 53.11 5.66 160 LEU CD1 −25.96 −29.16 51.89 3.96 160 LEU CD2 −24.43 −30.24 53.54 6.24 160 LEU C −23.28 −25.58 52.23 8.29 160 LEU O −22.07 −25.75 52.11 8.75 161 ASN N −23.83 −24.41 52.54 9.39 161 ASN CA −23.02 −23.23 52.83 10.51 161 ASN CB −22.74 −22.43 51.56 14.18 161 ASN CG −24.01 −22.01 50.85 10.89 161 ASN OD1 −24.80 −21.22 51.35 14.49 161 ASN ND2 −24.21 −22.56 49.67 16.31 161 ASN C −23.56 −22.29 53.92 12.43 161 ASN C −23.02 −21.20 54.14 13.86 162 HIS N −24.62 −22.69 54.60 11.27 162 HIS CA −25.19 −21.85 55.64 10.37 162 HIS CB −26.13 −20.82 55.00 5.69 162 HIS CG −26.80 −19.89 55.96 6.06 162 HIS CD2 −28.10 −19.79 56.33 6.15 162 HIS ND1 −26.14 −18.85 56.61 11.02 162 HIS CE1 −27.01 −18.16 57.33 5.27 162 HIS NE2 −28.20 −18.71 57.17 6.68 162 HIS C −25.92 −22.76 56.61 11.99 162 HIS O −26.68 −23.63 56.20 15.71 163 ALA N −25.59 −22.65 57.89 14.09 163 ALA CA −26.22 −23.48 58.91 10.89 163 ALA CB −25.26 −23.79 60.01 12.33 163 ALA C −27.38 −22.67 59.43 8.08 163 ALA O −27.24 −21.48 59.69 7.93 164 VAL N −28.52 −23.33 59.61 8.61 164 VAL CA −29.73 −22.67 60.06 9.19 164 VAL CB −30.58 −22.36 58.82 13.42 164 VAL CG1 −31.55 −23.51 58.50 8.48 164 VAL CG2 −31.22 −21.00 58.93 12.71 164 VAL C −30.45 −23.60 61.06 9.94 164 VAL O −29.95 −24.69 61.35 11.85 165 LEU N −31.59 −23.20 61.61 5.74 165 LEU CA −32.29 −24.07 62.58 6.61 165 LEU CB −32.27 −23.43 63.97 3.31 165 LEU CG −32.85 −24.20 65.15 2.00 165 LEU CD1 −31.81 −25.14 65.69 3.91 165 LEU CD2 −33.27 −23.20 66.22 3.66 165 LEU C −33.71 −24.47 62.20 8.12 165 LEU O −34.52 −23.62 61.80 12.38 166 ALA N −34.04 −25.75 62.36 6.76 166 ALA CA −35.37 −26.25 62.02 6.92 166 ALA CB −35.28 −27.67 61.50 5.38 166 ALA C −36.29 −26.20 63.24 9.15 166 ALA O −36.23 −27.07 64.10 12.12 167 VAL N −37.15 −25.19 63.30 10.50 167 VAL CA −38.06 −25.06 64.42 10.11 167 VAL CB −38.16 −23.60 64.93 9.38 167 VAL CG1 −36.79 −23.07 65.35 2.39 167 VAL CG2 −38.82 −22.71 63.88 7.39 167 VAL C −39.47 −25.56 64.11 10.07 167 VAL O −40.44 −25.13 64.73 12.94 168 GLY N −39.60 −26.47 63.16 9.76 168 GLY CA −40.93 −26.97 62.85 7.51 168 GLY C −41.09 −27.55 61.46 8.86 168 GLY O −40.11 −27.88 60.80 7.84 169 TYR N −42.34 −27.71 61.06 10.03 169 TYR CA −42.70 −28.24 59.76 12.55 169 TYR CB −42.20 −29.67 59.56 12.27 169 TYR CG −42.79 −30.71 60.51 12.03 169 TYR CD1 −44.13 −31.06 60.43 9.03 169 TYR CE1 −44.67 −32.02 61.26 9.87 169 TYR CD2 −42.00 −31.35 61.45 11.40 169 TYR CE2 −42.54 −32.31 62.30 8.77 169 TYR CZ −43.87 −32.64 62.19 6.67 169 TYR OH −44.45 −33.58 63.00 8.74 169 TYR C −44.21 −28.15 59.68 15.32 169 TYR O −44.88 −28.12 60.72 19.66 170 GLY N −44.77 −28.10 58.47 15.75 170 GLY CA −46.21 −28.00 58.36 13.53 170 GLY C −46.70 −28.03 56.94 14.99 170 GLY O −46.13 −28.72 56.09 14.31 171 ILE N −47.70 −27.21 56.66 17.47 171 ILE CA −48.28 −27.14 55.33 23.06 171 ILE CB −49.37 −28.23 55.17 25.40 171 ILE CG2 −50.56 −27.93 56.06 30.02 171 ILE CG1 −49.86 −28.31 53.73 33.16 171 ILE CD1 −49.86 −29.73 53.19 37.53 171 ILE C −48.86 −25.75 55.07 21.85 171 ILE O −49.14 −25.02 56.01 26.83 172 GLN N −48.95 −25.33 53.81 24.21 172 GLN CA −49.52 −24.03 53.46 24.63 172 GLN CB −48.53 −22.88 53.66 22.98 172 GLN CG −49.13 −21.50 53.34 24.04 172 GLN CD −48.15 −20.35 53.49 25.53 172 GLN OE1 −47.37 −20.30 54.45 30.09 172 GLN NE2 −48.17 −19.42 52.55 28.42 172 GLN C −50.02 −24.03 52.02 25.83 172 GLN O −49.24 −24.28 51.09 28.71 173 LYS N −51.32 −23.80 51.83 23.80 173 LYS CA −51.91 −23.78 50.49 22.33 173 LYS CB −51.58 −22.46 49.78 22.26 173 LYS CG −52.35 −21.23 50.29 26.56 173 LYS CD −53.81 −21.23 49.80 30.52 173 LYS CE −54.48 −19.85 49.89 29.44 173 LYS NZ −54.64 −19.30 51.27 28.52 173 LYS C −51.45 −24.98 49.66 21.89 173 LYS O −51.02 −24.84 48.52 22.66 174 GLY N −51.49 −26.16 50.27 21.87 174 GLY CA −51.08 −27.38 49.61 20.01 174 GLY C −49.59 −27.70 49.71 19.12 174 GLY O −49.18 −28.85 49.49 14.08 175 ASN N −48.79 −26.71 50.06 19.25 175 ASN CA −47.34 −26.90 50.16 22.03 175 ASN CB −46.59 −25.65 49.70 23.43 175 ASN CG −47.13 −25.08 48.40 26.87 175 ASN OD1 −46.80 −25.56 47.31 24.31 175 ASN ND2 −47.96 −24.04 48.52 27.46 175 ASN C −46.85 −27.30 51.56 22.36 175 ASN O −46.95 −26.52 52.51 22.73 176 LYS N −46.34 −28.52 51.69 18.82 176 LYS CA −45.79 −28.98 52.95 18.15 176 LYS CB −45.64 −30.50 52.97 19.27 176 LYS CG −46.95 −31.32 53.07 21.41 176 LYS CD −46.63 −32.84 52.96 17.01 176 LYS CE −47.83 −33.72 53.27 21.32 176 LYS NZ −48.07 −33.97 54.73 17.44 176 LYS C −44.42 −28.30 53.03 20.70 176 LYS O −43.56 −28.53 52.17 21.72 177 HIS N −44.19 −27.51 54.08 18.91 177 HIS CA −42.93 −26.78 54.26 13.73 177 HIS CB −43.18 −25.28 54.19 16.90 177 HIS CG −44.04 −24.76 55.30 17.13 177 HIS CD2 −43.77 −24.55 56.62 20.36 177 HIS ND1 −45.37 −24.39 55.13 20.15 177 HIS CE1 −45.87 −23.99 56.28 21.57 177 HIS NE2 −44.92 −24.08 57.20 21.14 177 HIS C −42.20 −27.08 55.56 13.57 177 HIS O −42.71 −27.80 56.42 15.98 178 TRP N −41.05 −26.45 55.74 11.27 178 TRP CA −40.27 −26.56 56.97 10.08 178 TRP CB −38.80 −26.95 56.72 13.29 178 TRP CG −38.53 −28.36 56.29 9.82 178 TRP CD2 −38.48 −29.53 57.12 13.57 178 TRP CE2 −38.10 −30.61 56.30 13.92 178 TRP CE3 −38.73 −29.77 58.48 15.49 178 TRP CD1 −38.19 −28.77 55.04 12.10 178 TRP NE1 −37.93 −30.12 55.03 13.58 178 TRP CZ2 −37.95 −31.92 56.79 14.49 178 TRP CZ3 −38.58 −31.07 58.97 16.39 178 TRP CH2 −38.19 −32.13 58.12 16.81 178 TRP C −40.31 −25.13 57.51 10.66 178 TRP O −40.55 −24.19 56.75 11.76 179 ILE N −40.13 −24.95 58.82 11.11 179 ILE CA −40.11 −23.61 59.41 9.30 179 ILE CB −40.99 −23.50 60.66 11.02 179 ILE CG2 −40.96 −22.10 61.21 3.09 179 ILE CG1 −42.44 −23.88 60.33 9.87 179 ILE CD1 −43.38 −23.79 61.52 10.20 179 ILE C −38.66 −23.46 59.79 10.91 179 ILE O −38.13 −24.27 60.55 13.14 180 ILE N −38.01 −22.45 59.23 12.47 180 ILE CA −36.60 −22.25 59.48 10.39 180 ILE CB −35.84 −22.35 58.14 4.50 180 ILE CG2 −34.41 −21.90 58.27 4.54 180 ILE CG1 −35.91 −23.78 57.61 6.63 180 ILE CD1 −35.21 −24.85 58.48 10.08 180 ILE C −36.27 −20.95 60.18 12.35 180 ILE O −36.73 −19.88 59.76 18.36 181 LYS N −35.50 −21.05 61.27 9.02 181 LYS CA −35.06 −19.88 62.03 6.93 181 LYS CB −34.92 −20.19 63.52 8.20 181 LYS CG −34.55 −18.99 64.39 4.18 181 LYS CD −34.21 −19.41 65.80 5.00 181 LYS CE −33.83 −18.23 66.69 2.00 181 LYS NZ −33.38 −18.69 68.03 2.00 181 LYS C −33.71 −19.45 61.47 6.56 181 LYS O −32.76 −20.23 61.51 9.50 182 ASN N −33.63 −18.25 60.93 6.31 182 ASN CA −32.38 −17.79 60.36 7.51 182 ASN CB −32.62 −17.18 58.97 12.34 182 ASN CG −31.37 −17.16 58.12 13.66 182 ASN OD1 −30.38 −17.83 58.43 13.80 182 ASN ND2 −31.40 −16.41 57.03 14.20 182 ASN C −31.67 −16.80 61.27 8.95 182 ASN O −32.29 −16.18 62.12 9.35 183 SER N −30.37 −16.65 61.07 12.23 183 SER CA −29.55 −15.74 61.87 12.33 183 SER CB −28.41 −16.50 62.54 11.14 183 SER OG −27.51 −17.06 61.60 2.83 183 SER C −29.03 −14.56 61.05 17.18 183 SER O −27.84 −14.23 61.12 14.11 184 TRP N −29.92 −13.92 60.30 20.03 184 TRP CA −29.59 −12.77 59.45 17.75 184 TRP CB −29.94 −13.03 57.99 17.44 184 TRP CG −28.96 −13.87 57.26 11.74 184 TRP CD2 −29.09 −14.40 55.93 10.49 184 TRP CE2 −27.91 −15.11 55.65 11.82 184 TRP CE3 −30.09 −14.34 54.96 7.76 184 TRP CD1 −27.75 −14.27 57.71 13.64 184 TRP NE1 −27.11 −15.01 56.76 18.22 184 TRP CZ2 −27.70 −15.76 54.44 8.06 184 TRP CZ3 −29.88 −14.99 53.75 8.86 184 TRP CH2 −28.70 −15.69 53.50 6.44 184 TRP C −30.30 −11.51 59.91 18.70 184 TRP O −30.21 −10.47 59.27 18.61 185 GLY N −31.05 −11.62 61.01 19.92 185 GLY CA −31.75 −10.48 61.55 17.99 185 GLY C −33.25 −10.62 61.47 21.34 185 GLY O −33.78 −11.41 60.68 24.20 186 GLU N −33.94 −9.85 62.30 25.86 186 GLU CA −35.39 −9.85 62.34 28.63 186 GLU CB −35.92 −9.06 63.55 33.72 186 GLU CG −37.35 −9.41 64.01 33.62 186 GLU CD −37.39 −10.59 64.97 33.61 186 GLU OE1 −36.64 −10.57 65.96 35.89 186 GLU OE2 −38.18 −11.54 64.74 33.82 186 GLU C −35.93 −9.26 61.04 27.44 186 GLU O −37.08 −9.48 60.68 29.63 187 ASN N −35.09 −8.50 60.33 28.18 187 ASN CA −35.54 −7.88 59.08 30.53 187 ASN CB −35.10 −6.41 58.99 33.02 187 ASN CG −36.04 −5.57 58.12 36.45 187 ASN OD1 −35.65 −4.51 57.62 41.13 187 ASN ND2 −37.28 −6.03 57.95 34.46 187 ASN C −35.20 −8.65 57.79 29.17 187 ASN O −35.12 −8.08 56.69 26.38 188 TRP N −34.95 −9.94 57.93 26.78 188 TRP CA −34.69 −10.76 56.76 22.32 188 TRP CB −33.39 −11.54 56.84 20.90 188 TRP CG −33.28 −12.47 55.69 18.19 188 TRP CD2 −33.78 −13.82 55.64 20.16 188 TRP CE2 −33.53 −14.30 54.34 16.93 188 TRP CE3 −34.43 −14.65 56.56 15.73 188 TRP CD1 −32.75 −12.21 54.46 12.09 188 TRP NE1 −32.90 −13.31 53.64 17.84 188 TRP CZ2 −33.90 −15.58 53.94 18.81 188 TRP CZ3 −34.79 −15.92 56.17 18.58 188 TRP CH2 −34.53 −16.38 54.87 19.87 188 TRP C −35.87 −11.70 56.68 21.57 188 TRP O −36.40 −12.11 57.72 19.48 189 GLY N −36.28 −12.04 55.46 22.26 189 GLY CA −37.41 −12.93 55.26 19.03 189 GLY C −38.59 −12.53 56.12 16.83 189 GLY O −38.70 −11.37 56.51 16.64 190 ASN N −39.44 −13.48 56.47 19.64 190 ASN CA −40.60 −13.17 57.30 21.04 190 ASN CB −41.76 −14.13 57.02 18.69 190 ASN CG −43.09 −13.58 57.49 20.80 190 ASN OD1 −43.14 −12.58 58.20 25.63 190 ASN ND2 −44.18 −14.23 57.09 16.08 190 ASN C −40.20 −13.18 58.78 20.26 190 ASN O −40.08 −14.23 59.39 21.80 191 LYS N −39.91 −11.99 59.31 19.09 191 LYS CA −39.51 −11.81 60.71 17.89 19I LYS CB −40.69 −11.99 61.66 19.60 191 LYS CG −41.88 −11.07 61.39 20.04 191 LYS CD −43.02 −11.37 62.36 17.35 191 LYS CE −44.34 −10.84 61.84 16.88 191 LYS NZ −45.47 −11.13 62.77 17.42 191 LYS C −38.33 −12.71 61.12 14.97 191 LYS O −38.28 −13.22 62.23 11.80 192 GLY N −37.38 −12.87 60.20 16.54 192 GLY CA −36.20 −13.67 60.47 10.79 192 GLY C −36.40 −15.14 60.19 12.10 192 GLY O −35.53 −15.94 60.52 14.29 193 TYR N −37.53 −15.50 59.59 15.02 193 TYR CA −37.82 −16.91 59.26 15.85 193 TYR CB −39.02 −17.45 60.08 19.04 193 TYR CG −38.75 −17.68 61.55 20.49 193 TYR CD1 −38.79 −16.64 62.45 23.39 193 TYR CE1 −38.52 −16.84 63.79 24.79 193 TYR CD2 −38.43 −18.95 62.02 21.17 193 TYR CE2 −38.15 −19.17 63.36 22.23 193 TYR CZ −38.19 −18.11 64.24 24.79 193 TYR OH −37.88 −18.29 65.56 25.50 193 TYR C −38.11 −17.13 57.77 14.84 193 TYR O −38.58 −16.22 57.07 11.51 194 ILE N −37.90 −18.36 57.33 16.12 194 ILE CA −38.16 −18.78 55.96 14.70 194 ILE CB −36.84 −18.88 55.15 17.12 194 ILE CG2 −35.85 −19.82 55.81 13.78 194 ILE CG1 −37.11 −19.29 53.70 15.67 194 ILE CD1 −35.97 −18.96 52.77 13.44 194 ILE C −38.92 −20.12 55.97 12.70 194 ILE O −38.59 −21.02 56.73 11.58 195 LEU N −39.99 −20.21 55.18 12.52 195 LEU CA −40.79 −21.43 55.09 12.23 195 LEU CB −42.27 −21.12 54.93 12.99 195 LEU CG −42.88 −20.23 55.99 16.19 195 LEU CD1 −44.36 −20.05 55.68 16.70 195 LEU CD2 −42.69 −20.87 57.36 17.95 195 LEU C −40.36 −22.30 53.93 10.25 195 LEU O −41.15 −22.59 53.05 15.85 196 MET N −39.12 −22.76 53.96 9.10 196 MET CA −38.58 −23.59 52.89 9.39 196 MET CB −37.15 −23.99 53.20 8.97 196 MET CG −36.23 −22.80 53.29 8.78 196 MET SD −34.62 −23.28 53.80 18.24 196 MET CE −33.88 −23.71 52.24 8.14 196 MET C −39.43 −24.79 52.52 10.25 196 MET O −40.21 −25.27 53.33 13.91 197 ALA N −39.26 −25.28 51.30 11.72 197 ALA CA −40.03 −26.42 50.82 12.43 197 ALA CB −39.92 −26.52 49.30 7.27 197 ALA C −39.62 −27.73 51.49 13.38 197 ALA O −38.45 −27.92 51.85 11.55 198 ARG N −40.58 −28.64 51.65 11.95 198 ARG CA −40.38 −29.92 52.30 13.06 198 ARG CB −41.05 −29.94 53.69 14.09 198 ARG CG −41.05 −31.27 54.39 5.88 198 ARG CD −41.44 −31.09 55.84 6.02 198 ARG NE −42.82 −30.68 56.02 3.48 198 ARG CZ −43.85 −31.52 56.05 6.84 198 ARG NH1 −43.64 −32.82 55.89 2.00 198 ARG NH2 −45.07 −31.08 56.35 2.52 198 ARG C −40.94 −31.02 51.43 12.96 198 ARG O −41.97 −30.84 50.78 15.58 199 ASN N −40.29 −32.18 51.47 12.90 199 ASN CA −40.66 −33.34 50.66 13.45 199 ASN CB −42.17 −33.57 50.63 17.26 199 ASN CG −42.69 −34.17 51.91 22.47 199 ASN OD1 −42.08 −35.09 52.47 20.71 199 ASN ND2 −43.83 −33.68 52.36 26.83 199 ASN C −40.12 −33.20 49.24 12.34 199 ASN O −39.63 −34.18 48.69 12.85 200 LYS N −40.22 −32.00 48.68 10.89 200 LYS CA −39.73 −31.64 47.34 8.22 200 LYS CB −39.86 −30.13 47.11 8.55 200 LYS CG −41.26 −29.57 47.04 5.90 200 LYS CD −41.97 −30.04 45.79 9.80 200 LYS CE −43.07 −29.09 45.40 9.34 200 LYS NZ −42.51 −27.88 44.72 10.27 200 LYS C −38.29 −32.09 47.02 7.56 200 LYS O −37.43 −31.27 46.71 5.62 201 ASN N −38.05 −33.39 47.07 9.28 201 ASN CA −36.76 −33.99 46.79 10.44 201 ASN CB −36.58 −34.11 45.28 12.24 201 ASN CG −37.80 −34.72 44.61 16.00 201 ASN OD1 −38.18 −35.86 44.91 12.64 201 ASN ND2 −38.47 −33.93 43.78 14.00 201 ASN C −35.55 −33.38 47.47 10.11 201 ASN O −34.60 −32.95 46.82 11.93 202 ASN N −35.59 −33.36 48.80 11.90 202 ASN CA −34.50 −32.83 49.61 9.85 202 ASN CB −33.31 −33.79 49.55 13.31 202 ASN CG −32.38 −33.63 50.72 13.23 202 ASN OD1 −32.82 −33.40 51.84 16.24 202 ASN ND2 −31.09 −33.81 50.47 7.73 202 ASN C −34.09 −31.43 49.19 10.35 202 ASN O −32.90 −31.12 49.17 13.84 203 ALA N −35.05 −30.59 48.88 15.00 203 ALA H −35.55 −31.01 49.01 15.00 203 ALA CA −34.83 −29.22 48.41 15.00 203 ALA CB −35.54 −28.63 48.10 15.00 203 ALA C −33.66 −28.58 49.16 15.00 203 ALA O −33.48 −28.72 50.36 18.81 204 CYS N −32.82 −27.85 48.40 16.60 204 CYS CA −31.68 −27.12 48.94 13.11 204 CYS C −30.69 −27.92 49.78 13.70 204 CYS O −29.77 −27.35 50.36 13.59 204 CYS CB −32.14 −25.88 49.70 11.09 204 CYS SG −32.81 −24.55 48.65 21.00 205 GLY N −30.86 −29.23 49.82 15.46 205 GLY CA −29.96 −30.07 50.60 17.31 205 GLY C −30.16 −29.87 52.09 18.03 205 GLY O −29.21 −29.94 52.87 16.28 206 ILE N −31.42 −29.72 52.49 18.33 206 ILE CA −31.76 −29.48 53.88 18.94 206 ILE CB −33.23 −28.93 54.04 19.06 206 ILE CG2 −34.22 −29.85 53.34 18.93 206 ILE CG1 −33.59 −28.78 55.52 14.65 206 ILE CD1 −34.76 −27.88 55.75 16.36 206 ILE C −31.52 −30.66 54.82 21.37 206 ILE O −31.03 −30.47 55.94 21.08 267 ALA N −31.79 −31.88 54.34 20.23 207 ALA CA −31.63 −33.08 55.16 19.58 207 ALA CB −32.79 −34.05 54.92 20.40 207 ALA C −30.29 −33.82 55.03 17.00 207 ALA O −30.18 −34.98 55.38 15.14 208 ASN N −29.26 −33.13 54.55 17.17 208 ASN CA −27.97 −33.79 54.42 16.44 208 ASN CB −27.26 −33.40 53.11 16.56 208 ASN CG −27.95 33.93 51.86 12.14 208 ASN OD1 −28.79 −34.83 51.91 6.67 208 ASN ND2 −27.58 −33.36 50.72 12.22 208 ASN C −27.01 −33.56 55.59 16.20 208 ASN O −26.14 −34.39 55.83 19.88 209 LEU N −27.14 −32.44 56.30 11.98 209 LEU CA −26.22 −32.16 57.40 12.42 209 LEU CB −25.19 −31.10 56.96 11.33 209 LEU CG −23.81 −31.03 57.61 6.60 209 LEU CD1 −23.24 −32.42 57.81 6.26 209 LEU CD2 −22.89 −30.23 56.73 6.70 209 LEU C −26.87 −31.77 58.73 14.26 209 LEU O −26.32 −30.96 59.48 15.18 210 ALA N −27.99 −32.44 59.08 15.00 210 ALA H −28.41 −32.84 58.30 15.00 210 ALA CA −28.76 −32.10 60.27 15.00 210 ALA CB −30.25 −32.37 60.06 15.00 210 ALA C −28.31 −32.97 61.45 15.00 210 ALA O −28.07 −34.16 61.40 11.82 211 SER N −28.32 −32.32 62.66 12.69 211 SER CA −27.97 −33.00 63.90 11.35 211 SER CB −26.47 −33.22 64.03 10.79 211 SER OG −25.80 −32.01 64.32 5.14 211 SER C −28.50 −32.25 65.11 11.89 211 SER O −28.51 −31.01 65.14 11.91 212 PHE N −28.97 −32.99 66.09 12.57 212 PHE CA −29.47 −32.38 67.31 11.64 212 PHE CB −30.95 −32.69 67.51 12.77 212 PHE CG −31.27 −34.12 67.44 11.84 212 PHE CD1 −31.61 −34.70 66.24 10.42 212 PHE CD2 −31.23 −34.91 68.58 14.45 212 PHE CE1 −31.91 −36.03 66.17 16.06 212 PHE CE2 −31.53 −36.24 68.53 15.41 212 PHE CZ −31.87 −36.81 67.32 16.55 212 PHE C −28.61 −32.83 68.48 12.10 212 PHE O −27.91 −33.85 68.41 12.03 213 PRO N −28.60 −32.05 69.57 12.99 213 PRO CD −29.24 −30.73 69.77 10.69 213 PRO CA −27.79 −32.41 70.74 12.29 213 PRO CB −27.41 −31.05 71.29 11.67 213 PRO CG −28.70 −30.29 71.12 14.62 213 PRO C −28.56 −33.23 71.75 12.17 213 PRO O −29.78 −33.11 71.88 2.00 214 LYS N −27.82 −34.09 72.45 14.45 214 LYS CA −28.39 −34.94 73.50 19.77 214 LYS CB −27.80 −31.34 73.46 20.65 214 LYS CG −28.06 −37.08 72.17 24.16 214 LYS CD −27.54 −38.52 72.24 29.93 214 LYS CE −26.02 −38.57 72.40 33.14 214 LYS NZ −25.49 −39.97 72.44 35.37 214 LYS C −28.15 −34.26 74.84 21.45 214 LYS O −27.02 −33.92 75.20 16.74 215 MET N −29.23 −34.05 75.57 22.65 215 MET CA −29.16 −33.38 76.85 25.38 215 MET CB −30.04 −32.13 76.79 27.81 215 MET CG −29.77 −31.09 77.85 26.22 215 MET SD −30.44 −29.54 77.29 25.84 215 MET CE −28.92 −28.76 76.63 23.17 215 MET C −29.56 −34.30 77.99 25.33 215 MET OT1 −28.65 −34.77 78.71 27.00 215 MET OT2 −30.77 −34.58 78.12 23.48 216 HOH OH2 −31.11 −16.42 65.02 14.43 217 HOH OH2 −29.30 −20.25 62.17 18.73 218 HOH OH2 −10.67 −12.22 63.70 43.10 219 HOH OH2 −16.45 −12.20 72.96 5.87 220 HOH OH2 −35.12 −23.55 69.64 9.44 221 HOH OH2 −24.01 −30.97 61.16 4.73 222 HOH OH2 −13.01 −8.39 61.94 32.49 223 HOH OH2 −14.66 −21.66 66.41 2.00 224 HOH OH2 −43.65 −26.52 48.92 29.00 225 HOH OH2 −45.60 −35.43 55.56 13.84 226 HOH OH2 −40.92 −17.45 68.90 12.03 227 HOH OH2 −43.72 −25.26 44.65 38.82 228 HOH OH2 −24.12 −5.83 68.94 43.50 229 HOH OH2 −30.71 −18.60 67.86 32.89 230 HOH OH2 −35.05 −26.71 51.39 30.11 231 HOH OH2 −36.74 −24.80 49.94 8.69 232 HOH OH2 −46.77 −33.25 57.36 12.67 233 HOH OH2 −28.91 −10.19 75.44 15.32 234 HOH OH2 −36.31 −14.76 75.60 16.14 235 HOH OH2 −16.18 −4.92 68.62 27.92 236 HOH OH2 −16.52 −8.98 75.02 28.63 237 HOH OH2 −10.50 −18.37 70.18 39.29 238 HOH OH2 −9.29 −19.89 78.20 29.36 239 HOH OH2 −45.95 −16.45 54.42 32.47 240 HOH OH2 −33.98 −29.86 44.88 32.74 241 HOH OH2 −36.55 −38.18 52.42 11.87 242 HOH OH2 −41.73 −34.84 55.47 18.73 243 HOH OH2 −41.21 −19.79 71.20 12.36 244 HOH OH2 −47.90 −19.78 72.76 27.97 245 HOH OH2 −42.20 −14.92 70.78 34.65 246 HOH OH2 −26.14 −8.98 67.92 37.03 247 HOH OH2 −32.81 −7.84 63.95 35.20 248 HOH OH2 −19.95 −7.54 63.08 32.69 249 HOH OH2 −16.19 −10.67 61.92 30.22 250 HOH OH2 −35.01 −39.74 65.90 10.75 251 HOH OH2 −13.63 −24.17 76.67 16.76 252 HOH OH2 −8.21 −25.68 60.56 19.27 253 HOH OH2 −20.14 −27.62 51.69 32.97 254 HOH OH2 −25.01 −33.27 60.23 25.95 255 HOH OH2 −13.56 −29.77 72.49 36.07 256 HOH OH2 −33.43 −40.03 63.75 25.23 257 HOH OH2 −20.84 −23.81 87.06 28.06 258 HOH OH2 −13.50 −12.46 62.97 41.75 259 HOH OH2 −28.41 −30.03 56.55 11.99 260 HOH OH2 −28.87 −16.56 42.17 23.76 261 HOH OH2 −25.56 −19.23 42.44 8.60 262 HOH OH2 −32.08 −33.98 47.05 47.25 263 HOH OH2 −22.35 −31.23 43.22 18.34 264 HOH OH2 −32.62 −28.89 42.32 42.83 265 HOH OH2 −38.09 −30.05 50.12 38.26

TABLE VIII Table of the orthogonal three dimensional coordinates in Ångstroms and B factors (Å²) for the cathepsin K complex with inhibitor 4-[N-[(4- pyridylmethoxy)carbonyl]-L-leucyl]-1-[N- [(phenylmethoxy)carbonyl]-L-leucyl]-3- pyrrolidinone. Residue Atom X Y Z B 1 ALA CB −46.30 −38.07 64.13 15.00 1 ALA C −48.64 −37.16 64.46 15.00 1 ALA O −49.53 −37.68 63.79 15.00 1 ALA N −48.10 −39.41 65.31 15.00 1 ALA CA −47.55 −38.03 65.08 15.00 2 PRO N −48.69 −35.88 64.81 15.00 2 PRO CD −48.06 −35.33 66.02 15.00 2 PRO CA −49.67 −34.93 64.29 15.00 2 PRO CB −49.53 −33.73 65.24 15.00 2 PRO CG −48.13 −33.85 65.77 15.00 2 PRO C −49.42 −34.53 62.86 15.00 2 PRO O −48.34 −34.77 62.28 15.00 3 ASP N −50.40 −33.85 62.30 15.00 3 ASP CA −50.29 −33.37 60.93 15.00 3 ASP CB −51.65 −33.42 60.27 15.00 3 ASP CG −52.12 −34.84 60.00 15.00 3 ASP OD1 −52.02 −35.30 58.84 15.00 3 ASP OD2 −52.59 −35.51 60.95 15.00 3 ASP C −49.76 −31.93 61.01 15.00 3 ASP O −49.44 −31.32 59.99 15.00 4 SER N −49.58 −31.45 62.24 15.00 4 SER CA −49.13 −30.09 62.51 15.00 4 SER CB −50.32 −29.14 62.52 15.00 4 SER OG −50.86 −29.02 61.20 15.00 4 SER C −48.39 −29.96 63.84 15.00 4 SER O −48.74 −30.63 64.84 15.00 5 VAL N −47.34 −29.15 63.84 15.00 5 VAL CA −46.50 −28.91 64.99 15.00 5 VAL CB −45.35 −29.97 65.11 15.00 5 VAL CG1 −44.17 −29.43 65.89 15.00 5 VAL CG2 −45.84 −31.21 65.74 15.00 5 VAL C −45.86 −27.57 64.80 15.00 5 VAL O −45.37 −27.25 63.70 15.00 6 ASP N −45.84 −26.80 65.89 15.00 6 ASP CA −45.22 −25.50 65.92 15.00 6 ASP CB −46.16 −24.37 65.46 15.00 6 ASP CG −45.40 −23.07 65.15 15.00 6 ASP OD1 −44.21 −22.96 65.51 15.00 6 ASP OD2 −45.98 −22.17 64.51 15.00 6 ASP C −44.81 −25.27 67.34 15.00 6 ASP O −45.65 −24.96 68.17 15.00 7 TYR N −43.51 −25.35 67.61 15.00 7 TYR CA −43.00 −25.14 68.94 15.00 7 TYR CB −41.63 −25.80 69.13 15.00 7 TYR CG −41.68 −27.30 69.31 15.00 7 TYR CD1 −41.55 −27.88 70.57 15.00 7 TYR CE1 −41.60 −29.29 70.74 15.00 7 TYR CD2 −41.86 −28.14 68.22 15.00 7 TYR CE2 −41.91 −29.55 68.38 15.00 7 TYR CZ −41.79 −30.10 69.64 15.00 7 TYR OH −41.91 −31.46 69.83 15.00 7 TYR C −42.85 −23.70 69.30 15.00 7 TYR O −42.16 −23.39 70.26 15.00 8 ARG N −43.40 −22.80 68.50 15.00 8 ARG CA −43.31 −21.39 68.80 15.00 8 ARG CB −43.55 −20.55 67.56 15.00 8 ARG CG −42.37 −20.55 66.60 15.00 8 ARG CD −42.57 −19.68 65.38 15.00 8 ARG NE −43.64 −20.20 64.53 15.00 8 ARG CZ −43.88 −19.78 63.29 15.00 8 ARG NH1 −43.09 −18.84 62.77 15.00 8 ARG NH2 −44.92 −20.26 62.60 15.00 8 ARG C −44.37 −21.14 69.84 15.00 8 ARG O −44.09 −20.64 70.93 15.00 9 LYS N −45.58 −21.65 69.54 15.00 9 LYS CA −46.73 −21.55 70.42 15.00 9 LYS CB −47.95 −22.19 69.75 15.00 9 LYS CC −48.42 −21.37 68.55 15.00 9 LYS CD −48.71 −22.24 67.29 15.00 9 LYS CE −49.41 −21.46 66.17 15.00 9 LYS NZ −50.87 −21.36 66.45 15.00 9 LYS C −46.44 −22.17 71.79 15.00 9 LYS O −46.36 −21.45 72.77 15.00 10 LYS N −46.15 −23.46 71.83 15.00 10 LYS CA −45.85 −24.13 73.10 15.00 10 LYS CB −45.43 −25.57 72.86 15.00 10 LYS CG −46.52 −26.39 72.25 15.00 10 LYS CD −46.05 −27.76 71.89 15.00 10 LYS CE −46.89 −28.35 70.81 15.00 10 LYS NZ −48.31 −27.94 70.92 15.00 10 LYS C −44.81 −23.41 73.94 15.00 10 LYS O −44.74 −23.62 75.14 15.00 11 GLY N −43.95 −22.63 73.30 15.00 11 GLY CA −42.94 −21.90 74.05 15.00 11 GLY C −41.53 −22.43 74.01 15.00 11 GLY O −40.78 −22.24 74.97 15.00 12 TYR N −41.13 −23.07 72.91 15.00 12 TYR CA −39.76 −23.60 72.84 15.00 12 TYR CB −39.78 −24.98 72.15 15.00 12 TYR CG −40.42 −26.09 72.97 15.00 12 TYR CD1 −41.76 −26.06 73.35 15.00 12 TYR CE1 −42.34 −27.10 74.13 15.00 12 TYR CD2 −39.66 −27.18 73.39 15.00 12 TYR CE2 −40.21 −28.21 74.17 15.00 12 TYR CZ −41.55 −28.17 74.53 15.00 12 TYR OH −42.10 −29.21 75.25 15.00 12 TYR C −38.82 −22.68 72.08 15.00 12 TYR O −37.64 −22.97 71.90 15.00 13 VAL N −39.37 −21.59 71.56 15.00 13 VAL CA −38.56 −20.71 70.75 15.0D 13 VAL CB −39.14 −20.70 69.33 15.00 13 VAL CG1 −38.15 −20.04 68.35 15.00 13 VAL CG2 −39.49 −22.09 68.92 15.00 13 VAL C −38.31 −19.27 71.23 15.00 13 VAL O −39.24 −18.52 71.45 15.00 14 THR N −37.03 −18.90 71.32 15.00 14 THR CA −36.64 −17.56 71.76 15.00 14 THR CB −35.17 −17.57 72.25 15.00 14 THR OG1 −34.33 −18.03 71.18 15.00 14 THR CG2 −35.01 −18.43 73.50 15.00 14 THR C −36.70 −16.58 70.60 15.00 14 THR O −37.20 −16.92 69.53 15.00 15 PRO N −36.27 −15.32 70.83 15.00 15 PRO CD −36.21 −14.64 72.14 15.00 15 PRO CA −36.29 −14.32 69.76 15.00 15 PRO CB −35.98 −13.04 70.49 15.00 15 PRO CG −36.64 −13.24 71.83 15.00 15 PRO C −35.23 −14.60 68.72 15.00 15 PRO O −34.20 −15.21 69.02 15.00 16 VAL N −35.48 −14.05 67.52 15.00 16 VAL CA −34.61 −14.19 66.36 15.00 16 VAL CB −35.37 −13.74 65.10 15.00 16 VAL CG1 −34.43 −13.61 63.92 15.00 16 VAL CG2 −36.44 −14.72 64.78 15.00 16 VAL C −33.40 −13.33 66.56 15.00 16 VAL O −33.47 −12.33 67.23 15.00 17 LYS N −32.24 −13.78 66.10 15.00 17 LYS CA −31.04 −12.97 66.26 15.00 17 LYS CB −29.96 −13.71 67.06 15.00 17 LYS CG −30.45 −14.44 68.35 15.00 17 LYS CD −30.63 −13.52 69.54 15.00 17 LYS CE −30.89 −14.30 70.82 15.00 17 LYS NZ −32.14 −15.10 70.83 15.00 17 LYS C −30.46 −12.58 64.91 15.00 17 LYS O −31.06 −12.84 63.87 15.00 18 ASN N −29.30 −11.94 64.94 15.00 18 ASN CA −28.58 −11.48 63.75 15.00 18 ASN CB −28.58 −9.96 63.69 15.00 18 ASN CG −29.93 −9.39 63.96 15.00 18 ASN OD1 −30.89 −9.75 63.32 15.00 18 ASN ND2 −30.02 −8.56 64.97 15.00 18 ASN C −27.16 −11.93 63.99 15.00 18 ASN O −26.58 −11.59 65.03 15.00 19 GLN N −26.59 −12.69 63.06 15.00 19 GLN CA −25.22 −13.13 63.22 15.00 19 GLN CB −24.96 −14.41 62.43 15.00 19 GLN CG −25.34 −14.25 60.98 15.00 19 GLN CD −25.10 −15.49 60.16 15.00 19 GLN OE1 −26.04 −16.20 59.82 15.00 19 GLN NE2 −23.86 −15.72 59.77 15.00 19 GLN C −24.24 −12.02 62.83 15.00 19 GLN O −23.05 −12.15 63.08 15.00 20 GLY N −24.72 −11.01 62.11 15.00 20 GLY CA −23.86 −9.91 61.69 15.00 20 GLY C −22.83 −10.31 60.65 15.00 20 GLY O −23.08 −11.26 59.94 15.00 21 GLN N −21.69 −9.61 60.49 15.00 21 GLN CA −20.72 −10.02 59.43 15.00 21 GLN CB −20.01 −8.83 58.75 15.00 21 GLN CG −20.87 −8.13 57.66 15.00 21 GLN CD −21.58 −9.06 56.63 15.00 21 GLN OE1 −20.99 −10.02 56.16 15.00 21 GLN NE2 −22.84 −8.74 56.29 15.00 21 GLN C −19.72 −11.10 59.87 15.00 21 GLN O −18.50 −11.01 59.66 15.00 22 CYS N −20.32 −12.22 60.26 15.00 22 CYS CA −19.59 −13.37 60.72 15.00 22 CYS C −20.26 −14.68 60.30 15.00 22 CYS O −21.48 −14.80 60.28 15.00 22 CYS CB −19.48 −13.22 62.25 15.00 22 CYS SG −19.02 −14.67 63.24 15.00 23 GLY N −19.45 −15.65 59.90 15.00 23 GLY CA −20.01 −16.93 59.52 15.00 23 GLY C −20.27 −17.81 60.75 15.00 23 GLY O −19.73 −18.91 60.83 15.00 24 SER N −21.20 −17.40 61.61 15.00 24 SER CA −21.49 −18.12 62.84 15.00 24 SER CB −21.32 −17.21 64.08 15.00 24 SER OG −22.22 −16.10 64.07 15.00 24 SER C −22.89 −18.73 62.86 15.00 24 SER O −23.44 −19.03 63.90 15.00 25 CYS N −23.46 −18.96 61.69 15.00 25 CYS CA −24.78 −19.55 61.56 15.00 25 CYS CB −25.18 −19.59 60.07 15.00 25 CYS SG −24.19 −20.73 59.02 15.00 25 CYS C −24.80 −20.92 62.24 15.00 25 CYS O −25.77 −21.25 62.88 15.00 25 INH C1 −14.75 −27.52 59.81 15.00 25 INH C2 −15.58 −26.77 58.94 15.00 25 INH C3 −15.24 −25.44 58.65 15.00 25 INH C4 −14.06 −24.88 59.25 15.00 25 INH C5 −13.21 −25.64 60.14 15.00 25 INH C6 −13.57 −26.96 60.42 15.00 25 INH C7 −16.11 −24.63 57.72 15.00 25 INH O8 −17.39 −25.29 57.48 15.00 25 INH C9 −18.43 −24.53 57.00 15.00 25 INH O10 −18.33 −23.63 56.17 15.00 25 INH N11 −19.57 −24.86 57.54 15.00 25 INH C12 −20.88 −24.22 57.23 15.00 25 INH C13 −21.31 −23.29 58.42 15.00 25 INH N14 −21.06 −21.86 58.16 15.00 25 INH C15 −21.68 −21.41 56.87 15.00 25 INH C16 −21.59 −21.00 59.27 15.00 25 INH C17 −22.57 −20.07 58.55 15.00 25 INH C18 −22.15 −19.99 57.10 15.00 25 INH C19 −21.87 −25.40 57.01 15.00 25 INH C20 −22.73 −25.74 58.21 15.00 25 INH C21 −22.94 −27.22 58.28 15.00 25 INH C22 −24.00 −25.01 57.98 15.00 25 INH N23 −23.18 −19.45 56.18 15.00 25 INH C24 −23.12 −18.15 55.84 15.00 25 INH O25 −22.20 −17.42 56.28 15.00 25 INH C26 −24.25 −17.59 54.91 15.00 25 INH C27 −24.00 −18.05 53.43 15.00 25 INH C28 −25.22 −18.05 52.51 15.00 25 INH C29 −25.14 −19.24 51.66 15.00 25 INH C30 −25.25 −16.77 51.69 15.00 25 INH N31 −24.30 −16.10 54.92 15.00 25 INH C32 −24.85 −15.34 55.87 15.00 25 INH O33 −25.40 −15.84 56.83 15.00 25 INH O34 −24.72 −13.96 55.64 15.00 25 INH C35 −24.74 −13.12 56.80 15.00 25 INH C36 −25.68 −11.91 56.62 15.00 25 INH C37 −25.21 −10.60 56.86 15.00 25 INH C38 −26.09 −9.52 56.74 15.00 25 INH N39 −27.37 −9.73 56.40 15.00 25 INH C40 −27.85 −10.96 56.16 15.00 25 INH C41 −27.03 −12.08 56.26 15.00 25 INH O42 −22.66 −18.72 58.88 15.00 26 TRP N −23.72 −21.69 62.15 15.00 26 TRP CA −23.64 −23.01 62.85 15.00 26 TRP CB −22.30 −23.65 62.59 15.00 26 TRP CG −21.18 −22.75 63.06 15.00 26 TRP CD2 −20.40 −22.85 64.28 15.00 26 TRP CE2 −19.44 −21.79 64.22 15.00 26 TRP CE3 −20.41 −23.71 65.38 15.00 26 TRP CD1 −20.71 −21.70 62.39 15.00 26 TRP NE1 −19.66 −21.12 63.05 15.00 26 TRP CZ2 −18.49 −21.56 65.24 15.00 26 TRP CZ3 −19.48 −23.49 66.41 15.00 26 TRP CH2 −18.52 −22.41 66.33 15.00 26 TRP C −23.72 −22.83 64.40 15.00 26 TRP O −23.97 −23.79 65.16 15.00 27 ALA N −23.39 −21.64 64.91 15.00 27 ALA CA −23.50 −21.43 66.36 15.00 27 ALA CB −22.70 −20.24 66.80 15.00 27 ALA C −24.98 −21.21 66.72 15.00 27 ALA O −25.52 −21.89 67.60 15.00 28 PHE N −25.63 −20.27 66.03 15.00 28 PHE CA −27.02 −19.90 66.31 15.00 28 PHE CB −27.46 −18.71 65.44 15.00 28 PHE CG −26.88 −17.40 65.85 15.00 28 PHE CD1 −25.73 −16.87 65.27 15.00 28 PHE CD2 −27.47 −16.73 66.88 15.00 28 PHE CE1 −25.16 −15.71 65.70 15.00 28 PHE CE2 −26.92 −15.57 67.33 15.00 28 PHE CZ −25.75 −15.04 66.75 15.00 28 PHE C −27.93 −21.09 66.06 15.00 28 PHE O −29.08 −21.05 66.44 15.00 29 SER N −27.44 −22.09 65.33 15.00 29 SER CA −28.24 −23.28 65.05 15.00 29 SER CB −27.74 −23.99 63.81 15.00 29 SER OG −28.44 −25.21 63.58 15.00 29 SER C −28.13 −24.15 66.27 15.00 29 SER 0 −29.14 −24.63 66.79 15.00 30 SER N −26.90 −24.31 66.76 15.00 30 SER CA −26.64 −25.13 67.94 15.00 30 SER CB −25.14 −25.24 68.21 15.00 30 SER OG −24.40 −25.67 67.06 15.00 30 SER C −27.29 −24.63 69.21 15.00 30 SER C −27.66 −25.40 70.08 15.00 31 VAL N −27.31 −23.32 69.35 15.00 31 VAL CA −27.89 −22.67 70.51 15.00 31 VAL CB −27.39 −21.19 70.58 15.00 31 VAL CG1 −28.13 −20.34 71.59 15.00 31 VAL CG2 −25.91 −21.19 70.86 15.00 31 VAL C −29.41 −22.80 70.55 15.00 31 VAL O −30.02 −22.96 71.63 15.00 32 GLY N −29.99 −22.81 69.35 15.00 32 GLY CA −31.43 −22.91 69.21 15.00 32 GLY C −31.90 −24.26 69.66 15.00 32 GLY O −32.81 −24.39 70.47 15.00 33 ALA N −31.22 −25.29 69.17 15.00 33 ALA CA −31.51 −26.66 69.53 15.00 33 ALA CB −30.58 −27.55 68.80 15.00 33 ALA C −31.38 −26.86 71.06 15.00 33 ALA O −32.23 −27.54 71.68 15.00 34 LEU N −30.29 −26.34 71.63 15.00 34 LEU CA −30.03 −26.45 73.05 15.00 34 LEU CB −28.72 −25.82 73.41 15.00 34 LEU CG −27.43 −26.58 73.17 15.00 34 LEU CD1 −26.28 −25.63 73.53 15.00 34 LEU CD2 −27.38 −27.85 74.05 15.00 34 LEU C −31.12 −25.73 73.83 15.00 34 LEU O −31.65 −26.29 74.80 15.00 35 GLU N −31.47 −24.51 73.44 15.00 35 GLU CA −32.54 −23.76 74.12 15.00 35 GLU CB −32.78 −22.42 73.41 15.00 35 GLU CG −31.67 −21.39 73.64 15.00 35 GLU CD −31.63 −20.29 72.57 15.00 35 GLU OE1 −32.41 −20.37 71.57 15.00 35 GLU OE2 −30.81 −19.35 72.71 15.00 35 GLU C −33.83 −24.57 74.20 15.00 35 GLU O −34.34 −24.83 75.31 15.00 36 GLY N −34.26 −25.10 73.05 15.00 36 GLY CA −35.48 −25.91 72.99 15.00 36 GLY C −35.58 −27.11 73.93 15.00 36 GLY O −36.67 −27.47 74.37 15.00 37 GLN N −34.44 −27.72 74.24 15.00 37 GLN CA −34.40 −28.87 75.12 15.00 37 GLN CB −33.06 −29.60 74.95 15.00 37 GLN CG −32.79 −30.19 73.58 15.00 37 GLN CD −33.83 −31.19 73.19 15.00 37 GLN OE1 −33.99 −32.23 73.84 15.00 37 GLN NE2 −34.56 −30.89 72.11 15.00 37 GLN C −34.52 −28.38 76.55 15.00 37 GLN O −35.01 −29.10 77.43 15.00 38 LEU N −33.98 −27.18 76.79 15.00 38 LEU CA −34.03 −26.60 78.12 15.00 38 LEU CB −33.30 −25.26 78.14 15.00 38 LEU CG −33.24 −24.54 79.47 15.00 38 LEU CD1 −32.61 −25.51 80.46 15.00 38 LEU CD2 −32.41 −23.30 79.36 15.00 38 LEU C −35.46 −26.45 78.60 15.00 38 LEU O −35.86 −27.10 79.58 15.00 39 LYS N −36.26 −25.70 77.84 15.00 39 LYS CA −37.68 −25.45 78.15 15.00 39 LYS CB −38.34 −24.71 76.97 15.00 39 LYS CG −39.49 −23.74 77.33 15.00 39 LYS CD −40.74 −24.43 77.83 15.00 39 LYS CE −41.85 −23.45 78.12 15.00 39 LYS NZ −41.65 −22.78 79.42 15.00 39 LYS C −38.42 −26.78 78.46 15.00 39 LYS O −39.33 −26.82 79.30 15.00 40 LYS N −38.04 −27.84 77.77 15.00 40 LYS CA −38.66 −29.14 77.99 15.00 40 LYS CB −38.41 −30.07 76.81 15.00 40 LYS CG −39.57 −31.02 76.53 15.00 40 LYS CD −39.10 −32.29 75.82 15.00 40 LYS CE −40.02 −32.72 74.68 15.00 40 LYS NZ −40.21 −31.65 73.65 15.00 40 LYS C −38.08 −29.74 79.27 15.00 40 LYS O −38.79 −30.27 80.12 15.00 41 LYS N −36.77 −29.60 79.41 15.00 41 LYS CA −36.05 −30.13 80.55 15.00 41 LYS CB −34.53 −29.93 80.33 15.00 41 LYS CG −33.63 −30.86 81.11 15.00 41 LYS CD −33.79 −32.26 80.55 15.00 41 LYS CE −33.13 −33.31 81.42 15.00 41 LYS NZ −33.45 −34.68 80.86 15.00 41 LYS C −36.49 −29.45 81.84 15.00 41 LYS O −37.34 −29.97 82.61 15.00 42 THR N −35.96 −28.25 82.04 15.00 42 THR CA −36.22 −27.48 83.24 15.00 42 THR CB −34.87 −26.94 83.78 15.00 42 THR OG1 −34.35 −25.91 82.92 15.00 42 THR CG2 −33.86 −28.07 83.79 15.00 42 THR C −37.16 −26.30 83.02 15.00 42 THR O −36.86 −25.20 83.45 15.00 43 GLY N −38.28 −26.52 82.34 15.00 43 GLY CA −39.26 −25.47 82.12 15.00 43 GLY C −38.87 −24.03 81.79 15.00 43 GLY O −39.77 −23.21 81.54 15.00 44 LYS N −37.56 −23.75 81.75 15.00 44 LYS CA −37.02 −22.41 81.49 15.00 44 LYS CB −35.84 −22.13 82.44 15.00 44 LYS CG −36.25 −21.41 83.72 15.00 44 LYS CD −35.09 −21.25 84.67 15.00 44 LYS CE −35.50 −20.36 85.86 15.00 44 LYS NZ −36.56 −20.99 86.66 15.00 44 LYS C −36.56 −22.13 80.06 15.00 44 LYS O −35.71 −22.83 79.51 15.00 45 LEU N −37.07 −21.04 79.50 15.00 45 LEU CA −36.70 −20.66 78.14 15.00 45 LEU CB −37.93 −20.08 77.46 15.00 45 LEU CG −38.06 −19.92 75.94 15.00 45 LEU CD1 −37.93 −21.25 75.26 15.00 45 LEU CD2 −39.40 −19.29 75.63 15.00 45 LEU C −35.66 −19.57 78.35 15.00 45 LEU O −36.00 −18.46 78.71 15.00 46 LEU N −34.40 −19.94 78.29 15.00 46 LEU CA −33.30 −18.99 78.50 15.00 46 LEU CB −32.23 −19.62 79.41 15.00 46 LEU CG −31.90 −18.84 80.70 15.00 46 LEU CD1 −32.48 −19.56 81.88 15.00 46 LEU CD2 −30.35 −18.72 80.89 15.00 46 LEU C −32.68 −18.70 77.13 15.00 46 LEU O −32.93 −19.45 76.19 15.00 47 ASN N −31.92 −17.61 76.99 15.00 47 ASN CA −31.23 −17.30 75.73 15.00 47 ASN CB −31.29 −15.79 75.44 15.00 47 ASN CG −32.61 −15.36 74.77 15.00 47 ASN OD1 −32.68 −15.24 73.55 15.00 47 ASN ND2 −33.63 −15.06 75.58 15.00 47 ASN C −29.74 −17.70 75.90 15.00 47 ASN O −29.01 −16.99 76.58 15.00 48 LEU N −29.28 −18.80 75.29 15.00 48 LEU CA −27.88 −19.20 75.45 15.00 48 LEU CB −27.67 −20.68 75.16 15.00 48 LEU CG −28.05 −21.69 76.27 15.00 48 LEU CD1 −27.81 −21.07 77.65 15.00 48 LEU CD2 −29.49 −22.12 76.12 15.00 48 LEU C −26.85 −18.34 74.73 15.00 48 LEU O −27.20 −17.31 74.23 15.00 49 SER N −25.58 −18.70 74.74 15.00 49 SER CA −24.59 −17.83 74.11 15.00 49 SER CB −23.51 −17.50 75.14 15.00 49 SER OG −22.32 −17.09 74.51 15.00 49 SER C −23.93 −18.37 72.87 15.00 49 SER O −23.08 −19.27 72.98 15.00 50 PRO N −24.29 −17.86 71.67 15.00 50 PRO CD −25.31 −16.83 71.34 15.00 50 PRO CA −23.66 −18.36 70.45 15.00 50 PRO CB −24.47 −17.67 69.35 15.00 50 PRO CG −24.96 −16.44 69.97 15.00 50 PRO C −22.18 −17.94 70.44 15.00 50 PRO O −21.36 −18.62 69.86 15.00 51 GLN N −21.82 −16.87 71.13 15.00 51 GLN CA −20.43 −16.41 71.17 15.00 51 GLN CB −20.39 −14.98 71.74 15.00 S1 GLN CG −19.02 −14.25 71.69 15.00 51 GLN CD −18.76 −13.61 70.35 15.00 51 GLN OE1 −19.65 −12.97 69.76 15.00 51 GLN NE2 −17.54 −13.79 69.84 15.00 51 GLN C −19.46 −17.34 71.94 15.00 51 GLN O −18.31 −17.50 71.53 15.00 52 ASN N −19.90 −17.99 73.02 15.00 52 ASN CA −19.02 −18.91 73.78 15.00 52 ASN CB −19.79 −19.58 74.91 15.00 52 ASN CG −18.92 −20.56 75.72 15.00 52 ASN OD1 −19.45 −21.25 76.60 15.00 52 ASN ND2 −17.61 −20.58 75.49 15.00 52 ASN C −18.54 −19.96 72.80 15.00 52 ASN O −17.34 −20.22 72.69 15.00 53 LEU N −19.50 −20.50 72.05 15.00 53 LEU CA −19.28 −21.52 71.00 15.00 53 LEU CB −20.62 −21.86 70.33 15.00 53 LEU CG −21.43 −23.10 70.69 15.00 53 LEU CD1 −21.19 −23.59 72.12 15.00 53 LEU CD2 −22.91 −22.80 70.38 15.00 53 LEU C −18.28 −21.04 69.94 15.00 53 LEU O −17.34 −21.76 69.60 15.00 54 VAL N −18.48 −19.82 69.46 15.00 54 VAL CA −17.63 −19.27 68.44 15.00 54 VAL CB −18.01 −17.82 68.09 15.00 54 VAL CG1 −16.94 −17.17 67.25 15.00 54 VAL CG2 −19.32 −17.76 67.40 15.00 54 VAL C −16.18 −19.32 68.84 15.00 54 VAL O −15.36 −19.90 68.11 15.00 55 ASP N −15.88 −18.75 70.02 15.00 55 ASP CA −14.53 −18.65 70.58 15.00 55 ASP CB −14.49 −17.73 71.81 15.00 55 ASP CG −14.86 −16.30 71.52 15.00 55 ASP OD1 −14.87 −15.89 70.35 15.00 55 ASP OD2 −15.13 −15.56 72.49 15.00 55 ASP C −13.87 −19.93 71.08 15.00 55 ASP O −12.65 −20.14 70.82 15.00 56 CYS N −14.62 −20.75 71.81 15.00 56 CYS CA −14.06 −21.94 72.42 15.00 56 CYS C −14.14 −23.23 71.62 15.00 56 CYS O −13.36 −24.15 71.85 15.00 56 CYS CB −14.74 −22.17 73.76 15.00 56 CYS SG −14.67 −20.81 74.99 15.00 57 VAL N −15.00 −23.30 70.62 15.00 57 VAL CA −15.09 −24.53 69.88 15.00 57 VAL CB −16.51 −24.71 69.30 15.00 57 VAL CG1 −16.66 −26.03 68.70 15.00 57 VAL CG2 −17.56 −24.53 70.42 15.00 57 VAL C −13.92 −24.66 68.88 15.00 57 VAL O −14.05 −24.47 67.68 15.00 58 SER N −12.79 −25.08 69.43 15.00 58 SER CA −11.51 −25.26 68.71 15.00 58 SER CB −10.43 −25.78 69.66 15.00 58 SER OG −9.18 −25.96 68.99 15.00 58 SER C −11.53 −26.13 67.45 15.00 58 SER O −10.66 −26.01 66.58 15.00 59 GLU N −12.54 −26.98 67.36 15.00 59 GLU CA −12.67 −27.86 66.21 15.00 59 GLU CB −13.47 −29.12 66.60 15.00 59 GLU CG −13.12 −29.70 68.00 15.00 59 GLU CD −14.02 −29.15 69.13 15.00 59 GLU OE1 −15.16 −29.68 69.29 15.00 59 GLU OE2 −13.56 −28.20 69.84 15.00 59 GLU C −13.30 −27.07 65.05 15.00 59 GLU O −13.21 −27.46 63.91 15.00 60 ASN N −13.91 −25.93 65.35 15.00 60 ASN CA −14.50 −25.14 64.28 15.00 60 ASN CB −15.92 −24.71 64.63 15.00 60 ASN CG −16.96 −25.87 64.48 15.00 60 ASN OD1 −17.94 −25.95 65.23 15.00 60 ASN ND2 −16.75 −26.74 63.50 15.00 60 ASN C −13.60 −23.94 63.89 15.00 60 ASN O −12.43 −23.91 64.25 15.00 61 ASP N −14.11 −23.06 63.02 15.00 61 ASP CA −13.36 −21.90 62.53 15.00 61 ASP CB −13.29 −21.96 61.02 15.00 61 ASP CG −11.96 −22.46 60.52 15.00 61 ASP OD1 −11.41 −23.42 61.13 15.00 61 ASP OD2 −11.48 −21.91 59.50 15.00 61 ASP C −13.89 −20.55 62.98 15.00 61 ASP O −13.38 −19.49 62.62 15.00 62 GLY N −14.94 −20.59 63.77 15.00 62 GLY CA −15.48 −19.35 64.30 15.00 62 GLY C −16.16 −18.55 63.21 15.00 62 GLY O −17.14 −19.03 62.59 15.00 63 CYS N −15.70 −17.33 62.93 15.00 63 CYS CA −16.40 −16.58 61.91 15.00 63 CYS C −16.18 −17.07 60.50 15.00 63 CYS O −16.75 −16.57 59.55 15.00 63 CYS CB −16.13 −15.11 62.08 15.00 63 CYS SG −17.00 −14.35 63.54 15.00 64 GLY N −15.46 −18.19 60.41 15.00 64 GLY CA −15.19 −18.79 59.11 15.00 64 GLY C −16.12 −19.97 58.83 15.00 64 GLY O −16.19 −20.49 57.72 15.00 65 GLY N −16.79 −20.46 59.86 15.00 65 GLY CA −17.70 −21.56 59.62 15.00 65 GLY C −17.39 −22.81 60.42 15.00 65 GLY O −16.24 −23.13 60.74 15.00 66 GLY N −18.43 −23.62 60.61 15.00 66 GLY CA −18.29 −24.85 61.37 15.00 66 GLY C −19.48 −25.78 61.43 15.00 66 GLY O −20.57 −25.37 61.00 15.00 67 TYR N −19.31 −26.94 62.06 15.00 67 TYR CA −20.37 −27.91 62.16 15.00 67 TYR CB −19.83 −29.31 61.82 15.00 67 TYR CG −19.28 −29.38 60.43 15.00 67 TYR CD1 −20.08 −29.14 59.33 15.00 67 TYR CE1 −19.54 −29.09 58.03 15.00 67 TYR CD2 −17.93 −29.57 60.21 15.00 67 TYR CE2 −17.39 −29.52 58.91 15.00 67 TYR CZ −18.20 −29.27 57.84 15.00 67 TYR OH −17.70 −29.21 56.59 15.00 67 TYR C −21.11 −27.86 63.49 15.00 67 TYR O −20.55 −27.52 64.52 15.00 68 MET N −22.40 −28.13 63.48 15.00 68 MET CA −23.12 −28.14 64.76 15.00 68 MET CB −24.62 −28.23 64.56 15.00 68 MET CG −25.11 −27.02 63.82 15.00 68 MET SD −24.76 −27.31 62.04 15.00 68 MET CE −26.39 −28.14 61.56 15.00 68 MET C −22.66 −29.31 65.63 15.00 68 MET O −22.63 −29.21 66.83 15.00 69 THR N −22.32 −30.42 64.99 15.00 69 THR CA −21.87 −31.57 65.74 15.00 69 THR CB −21.55 −32.78 64.81 15.00 69 THR OG1 −20.68 −32.38 63.72 15.00 69 THR CG2 −22.82 −33.41 64.29 15.00 69 THR C −20.65 −31.21 66.61 15.00 69 THR O −20.61 −31.62 67.76 15.00 70 ASN N −19.74 −30.38 66.11 15.00 70 ASN CA −18.56 −30.05 66.91 15.00 70 ASN CB −17.53 −29.28 66.07 15.00 70 ASN CG −16.83 −30.17 65.02 15.00 70 ASN OD1 −17.07 −31.39 64.94 15.00 70 ASN ND2 −16.02 −29.55 64.17 15.00 70 ASN C −18.99 −29.22 68.11 15.00 70 ASN O −18.59 −29.49 69.21 15.00 71 ALA N −19.95 −28.33 67.87 15.00 71 ALA CA −20.42 −27.44 68.91 15.00 71 ALA CB −21.27 −26.35 68.33 15.00 71 ALA C −21.15 −28.13 70.05 15.00 71 ALA O −21.13 −27.69 71.20 15.00 72 PHE N −21.84 −29.22 69.71 15.00 72 PHE CA −22.53 −29.99 70.74 15.00 72 PHE CB −23.59 −30.93 70.13 15.00 72 PHE CG −24.75 −30.22 69.47 15.00 72 PHE CD1 −25.59 −29.41 70.21 15.00 72 PHE CD2 −25.05 −30.41 68.12 15.00 72 PHE CE1 −26.70 −28.82 69.63 15.00 72 PHE CE2 −26.16 −29.82 67.55 15.00 72 PHE CZ −26.97 −29.03 68.31 15.00 72 PHE C −21.49 −30.80 71.51 15.00 72 PHE O −21.54 −30.91 72.73 15.00 73 GLN N −20.55 −31.39 70.78 15.00 73 GLN CA −19.50 −32.16 71.39 15.00 73 GLN CB −18.48 −32.63 70.34 15.00 73 GLN CG −17.59 −33.74 70.84 15.00 73 GLN CD −17.19 −34.69 69.73 15.00 73 GLN OE1 −17.48 −35.89 69.18 15.00 73 GLN NE2 −16.52 −34.16 68.72 15.00 73 GLN C −18.81 −31.26 72.43 15.00 73 GLN O −18.64 −31.64 73.59 15.00 74 TYR N −18.39 −30.06 72.02 15.00 74 TYR CA −17.70 −29.17 72.97 15.00 74 TYR CB −17.27 −27.85 72.29 15.00 74 TYR CG −17.25 −26.64 73.21 15.00 74 TYR CD1 −16.09 −26.24 73.83 15.00 74 TYR CE1 −16.11 −25.21 74.74 15.00 74 TYR CD2 −18.43 −25.98 73.51 15.00 74 TYR CE2 −18.46 −24.94 74.43 15.00 74 TYR CZ −17.30 −24.57 75.05 15.00 74 TYR OH −17.27 −23.57 76.01 15.00 74 TYR C −18.51 −28.95 74.27 15.00 74 TYR O −18.01 −29.19 75.35 15.00 75 VAL N −19.77 −28.61 74.13 15.00 75 VAL CA −20.68 −28.40 75.27 15.00 75 VAL CB −22.10 −28.09 74.67 15.00 75 VAL CG1 −23.21 −28.24 75.71 15.00 75 VAL CG2 −22.09 −26.67 74.09 15.00 75 VAL C −20.70 −29.59 76.29 15.00 75 VAL O −21.29 −29.50 77.38 15.00 76 GLN N −20.09 −30.71 75.88 15.00 76 GLN CA −20.03 −31.93 76.68 15.00 76 GLN CB −20.30 −33.15 75.77 15.00 76 GLN CG −20.03 −34.52 76.35 15.00 76 GLN CD −20.70 −35.58 75.54 15.00 76 GLN OE1 −21.76 −36.09 75.93 15.00 76 GLN NE2 −20.15 −35.88 74.37 15.00 76 GLN C −18.70 −32.10 77.39 15.00 76 GLN O −18.66 −32.13 78.61 15.00 77 LYS N −17.61 −32.20 76.65 15.09 77 LYS CA −16.31 −32.37 77.28 15.00 77 LYS CB −15.24 −32.65 76.24 15.00 77 LYS CG −15.60 −33.84 75.35 15.00 77 LYS CD −14.38 −34.57 74.81 15.00 77 LYS CE −13.52 −33.71 73.91 15.00 77 LYS NZ −12.57 −34.54 73.09 15.00 77 LYS C −15.94 −31.16 78.15 15.00 77 LYS O −15.31 −31.32 79.19 15.00 78 ASN N −16.35 −29.96 77.75 15.00 78 ASN CA −16.09 −28.77 78.57 15.00 78 ASN CB −16.09 −27.49 77.72 15.00 78 ASN CG −16.13 −26.22 78.58 15.00 78 ASN OD1 −15.14 −25.84 79.17 15.00 78 ASN ND2 −17.32 −25.64 78.72 15.00 78 ASN C −17.17 −28.68 79.66 15.00 78 ASN O −17.18 −27.77 80.49 15.00 79 ARG N −18.08 −29.64 79.64 15.00 79 ARG CA −19.18 −29.69 80.60 15.00 79 ARG CB −18.69 −30.15 81.98 15.00 79 ARG CG −18.36 −31.63 82.12 15.00 79 ARG CD −17.79 −31.93 83.52 15.00 79 ARG NE −16.63 −32.84 83.47 15.00 79 ARG CZ −15.39 −32.46 83.15 15.00 79 ARG NH1 −15.15 −31.19 82.86 15.00 79 ARG NH2 −14.38 −33.34 83.16 15.00 79 ARG C −20.00 −28.40 89.78 15.00 79 ARG O −20.27 −27.99 81.91 15.00 80 GLY N −20.32 −27.70 79.70 15.00 80 GLY CA −21.14 −26.50 79.88 15.00 80 GLY C −21.02 −25.34 78.91 15.00 80 GLY O −19.94 −25.13 78.31 15.00 81 ILE N −22.13 −24.60 78.78 15.00 81 ILE CA −22.27 −23.43 77.92 15.00 81 ILE CB −23.18 −23.77 76.69 15.00 81 ILE CG2 −24.60 −24.14 77.13 15.00 81 ILE CG1 −23.28 −22.57 75.76 15.00 81 ILE CD1 −24.04 −22.84 74.48 15.00 81 ILE C −22.91 −22.32 78.75 15.00 81 ILE O −23.73 −22.62 79.63 15.00 82 ASP N −22.58 −21.05 78.48 15.00 82 ASP CA −23.13 −19.92 79.28 15.00 82 ASP CB −22.13 −18.77 79.29 15.00 82 ASP CG −20.88 −19.11 80.02 15.00 82 ASP OD1 −19.80 −18.87 79.48 15.00 82 ASP OD2 −20.96 −19.62 81.14 15.00 82 ASP C −24.47 −19.36 78.83 15.00 82 ASP O −25.10 −19.90 77.94 15.00 83 SER N −24.92 −18.31 79.51 15.00 83 SER CA −26.12 −17.57 79.18 15.00 83 SER CB −26.70 −16.97 80.48 15.00 83 SER OG −25.68 −16.38 81.28 15.00 83 SER C −25.55 −16.45 78.27 15.00 83 SER O −24.33 −16.24 78.28 15.00 84 GLU N −26.35 −15.82 77.39 15.00 84 GLU CA −25.85 −14.72 76.54 15.00 84 GLU CB −27.00 −13.88 75.94 15.00 84 GLU CG −27.12 −13.72 74.39 15.00 84 GLU CD −25.97 −12.97 73.70 15.00 84 GLU OE1 −25.80 −11.74 73.90 15.00 84 GLU OE2 −25.23 −13.64 72.93 15.00 84 GLU C −25.15 −13.79 77.53 15.00 84 GLU O −24.00 −13.44 77.37 15.00 85 ASP N −25.85 −13.43 78.61 15.00 85 ASP CA −25.31 −12.53 79.65 15.00 85 ASP CB −26.08 −12.68 80.98 15.00 85 ASP CG −27.48 −12.06 80.94 15.00 85 ASP OD1 −28.41 −12.76 81.40 15.00 85 ASP OD2 −27.63 −10.90 80.45 15.00 85 ASP C −23.80 −12.67 79.97 15.00 85 ASP O −23.07 −11.67 80.00 15.00 86 ALA N −23.36 −13.90 80.22 15.00 86 ALA CA −21.96 −14.21 80.59 15.00 86 ALA CB −21.89 −15.55 81.31 15.00 86 ALA C −21.00 −14.20 79.40 15.00 86 ALA O −19.76 −14.22 79.57 15.00 87 TYR N −21.55 −14.11 78.20 15.00 87 TYR CA −20.74 −14.13 76.99 15.00 87 TYR CB −20.41 −15.60 76.66 15.00 87 TYR CG −18.96 −15.90 76.36 15.00 87 TYR CD1 −18.23 −15.14 75.50 15.00 87 TYR CE1 −16.93 −15.44 75.21 15.00 87 TYR CD2 −18.34 −16.98 76.94 15.00 87 TYR CE2 −17.04 −17.27 76.65 15.00 87 TYR CZ −16.35 −16.52 75.79 15.00 87 TYR OH −15.09 −16.87 75.41 15.00 87 TYR C −21.57 −13.50 75.86 15.00 87 TYR O −21.88 −14.19 74.89 15.00 88 PRO N −21.98 −12.22 75.98 15.00 88 PRO CD −21.70 −11.28 77.08 15.00 88 PRO CA −22.78 −11.57 74.93 15.00 88 PRO CB −22.84 −10.11 75.41 15.00 88 PRO CG −22.78 −10.21 76.93 15.00 88 PRO C −22.14 −11.72 73.54 15.00 88 PRO O −20.91 −11.95 73.44 15.00 89 TYR N −22.97 −11.62 72.49 15.00 89 TYR CA −22.50 −11.76 71.11 15.00 89 TYR CB −23.64 −12.25 70.22 15.00 89 TYR CG −23.22 −12.67 68.82 15.00 89 TYR CD1 −22.42 −13.82 68.64 15.00 89 TYR CE1 −22.03 −14.24 67.35 15.00 89 TYR CD2 −23.62 −11.92 67.68 15.00 89 TYR CE2 −23.24 −12.31 66.41 15.00 89 TYR CZ −22.44 −13.47 66.24 15.00 89 TYR OH −22.00 −13.78 64.96 15.00 89 TYR C −21.91 −10.45 70.58 15.00 89 TYR O −22.53 −9.40 70.70 15.00 90 VAL N −20.67 −10.51 70.08 15.00 90 VAL CA −19.98 −9.36 69.50 15.00 90 VAL CB −18.74 −8.92 70.32 15.00 90 VAL CG1 −19.17 −8.55 71.75 15.00 90 VAL CG2 −17.66 −9.99 70.28 15.00 90 VAL C −19.58 −9.60 68.03 15.00 90 VAL O −18.77 −8.86 67.47 15.00 91 GLY N −20.12 −10.65 67.43 15.00 91 GLY CA −19.85 −10.97 66.03 15.00 91 GLY C −18.40 −10.89 65.56 15.00 91 GLY O −18.09 −10.75 64.36 15.00 92 GLN N −17.49 −11.02 66.50 15.00 92 GLN CA −16.08 −10.99 66.22 15.00 92 GLN CB −15.44 −9.73 66.78 15.00 92 GLN CG −14.07 −9.49 66.26 15.00 92 GLN CD −13.74 −8.01 66.30 15.00 92 GLN OE1 −13.84 −7.29 65.30 15.00 92 GLN NE2 −13.35 −7.54 67.49 15.00 92 GLN C −15.63 −12.18 67.00 15.00 92 GLN O −16.16 −12.45 68.08 15.00 93 GLU N −14.75 −12.96 66.42 15.00 93 GLU CA −14.27 −14.11 67.13 15.00 93 GLU CB −13.67 −15.14 66.19 15.00 93 GLU CG −13.54 −16.51 66.82 15.00 93 GLU CD −12.31 −17.23 66.33 15.00 93 GLU OE1 −11.79 −18.11 67.03 15.00 93 GLU OE2 −11.86 −16.90 65.23 15.00 93 GLU C −13.17 −13.56 68.00 15.00 93 GLU O −12.58 −12.52 67.67 15.00 94 GLU N −12.98 −14.19 69.17 15.00 94 GLU CA −11.95 −13.83 70.12 15.00 94 GLU CB −12.45 −12.76 71.08 15.00 94 GLU CG −13.44 −11.78 70.55 15.00 94 GLU CD −13.36 −10.49 71.28 15.00 94 GLU OE1 −12.35 −9.77 71.16 15.00 94 GLU OE2 −14.28 −10.18 72.03 15.00 94 GLU C −11.52 −15.03 70.95 15.00 94 GLU O −12.21 −16.05 71.03 15.00 95 SER N −10.46 −14.79 71.73 15.00 95 SER CA −9.89 −15.79 72.60 15.00 95 SER CB −8.61 −15.24 73.23 15.00 95 SER OG −7.71 −14.80 72.23 15.00 95 SER C −10.92 −16.24 73.63 15.00 95 SER O −11.66 −15.42 74.18 15.00 96 CYS N −10.99 −17.55 73.82 15.00 96 CYS CA −11.94 −18.19 74.74 15.00 96 CYS C −11.83 −17.70 76.17 15.00 96 CYS O −10.75 −17.73 76.79 15.00 96 CYS CB −11.80 −19.73 74.68 15.00 96 CYS SG −12.78 −20.81 75.78 15.00 97 MET N −12.97 −17.26 76.69 15.00 97 MET CA −13.10 −16.73 78.03 15.00 97 MET CB −13.17 −15.20 78.02 15.00 97 MET CG −12.67 −14.49 79.27 15.00 97 MET SD −10.82 −14.26 79.19 15.00 97 MET CE −10.31 −15.40 80.50 15.00 97 MET C −14.34 −17.32 78.74 15.00 97 MET O −15.06 −16.60 79.42 15.00 98 TYR N −14.60 −18.61 78.59 15.00 98 TYR CA −15.74 −19.28 79.24 15.00 98 TYR CB −15.63 −20.78 79.00 15.00 98 TYR CG −16.63 −21.59 79.77 15.00 98 TYR CD1 −17.98 −21.47 79.50 15.00 98 TYR CE1 −18.91 −22.15 80.24 15.00 98 TYR CD2 −16.22 −22.44 80.82 15.00 98 TYR CE2 −17.15 −23.16 81.58 15.00 98 TYR CZ −18.51 −22.99 81.27 15.00 98 TYR OH −19.51 −23.63 81.97 15.00 98 TYR C −15.85 −19.00 80.73 15.00 98 TYR O −14.85 −18.70 81.38 15.00 99 ASN N −17.06 −19.08 81.26 15.00 99 ASN CA −17.25 −18.79 82.67 15.00 99 ASN CB −17.77 −17.37 82.86 15.00 99 ASN CG −17.78 −16.95 84.33 15.00 99 ASN OD1 −18.62 −17.40 85.11 15.00 99 ASN ND2 −16.82 −16.11 84.70 15.00 99 ASN C −18.13 −19.73 83.47 15.00 99 ASN O −19.36 −19.70 83.36 15.00 100 PRO N −17.51 −20.60 84.28 15.00 100 PRO CD −16.06 −20.90 84.34 15.00 100 PRO CA −18.26 −21.55 85.10 15.00 100 PRO CB −17.25 −21.89 86.20 15.00 100 PRO CG −15.98 −22.00 85.45 15.00 100 PRO C −19.56 −21.03 85.71 15.00 100 PRO O −20.61 −21.68 85.55 15.00 101 THR N −19.48 −19.89 86.41 15.00 101 THR CA −20.63 −19.30 87.10 15.00 101 THR CB −20.18 −18.20 88.13 15.00 101 THR OG1 −19.04 −17.45 87.66 15.00 101 THR CG2 −19.82 −18.87 89.46 15.00 101 THR C −21.77 −18.86 86.17 15.00 101 THR O −22.95 −18.78 86.56 15.00 102 GLY N −21.40 −18.68 84.91 15.00 102 GLY CA −22.35 −18.33 83.88 15.00 102 GLY C −23.27 −19.50 83.58 15.00 102 GLY O −24.47 −19.30 83.42 15.00 103 LYS N −22.68 −20.69 83.38 15.00 103 LYS CA −23.39 −21.95 83.13 15.00 103 LYS CB −22.95 −23.01 84.16 15.00 103 LYS CG −23.73 −24.31 84.12 15.00 103 LYS CD −23.11 −25.38 85.05 15.00 103 LYS CE −21.69 −25.76 84.61 15.00 103 LYS NZ −21.01 −26.68 85.56 15.00 103 LYS C −24.90 −21.82 83.20 15.00 103 LYS O −25.45 −21.45 84.23 15.00 104 ALA N −25.58 −22.16 82.10 15.00 104 ALA CA −27.05 −22.11 82.04 15.00 104 ALA CB −27.54 −20.84 81.26 15.00 104 ALA C −27.64 −23.39 81.42 15.00 104 ALA O −28.85 −23.61 81.42 15.00 105 ALA N −26.79 −24.26 80.92 15.00 105 ALA CA −27.24 −25.50 80.30 15.00 105 ALA CB −28.05 −25.22 79.03 15.00 105 ALA C −26.03 −26.35 79.97 15.00 105 ALA O −24.88 −25.90 80.04 15.00 106 LYS N −26.32 −27.59 79.60 15.00 106 LYS CA −25.32 −28.57 79.25 15.00 106 LYS CB −24.74 −29.13 80.55 15.00 106 LYS CG −23.71 −30.22 80.42 15.00 106 LYS CD −23.54 −30.96 81.75 15.00 106 LYS CE −24.85 −31.60 82.15 15.00 106 LYS NZ −24.61 −32.90 82.82 15.00 106 LYS C −26.09 −29.63 78.43 15.00 106 LYS O −27.32 −29.62 78.34 15.00 107 CYS N −25.36 −30.51 77.77 15.00 107 CYS CA −26.00 −31.54 76.97 I5.00 107 CYS CB −26.06 −31.11 75.50 15.00 107 CYS SG −24.54 −31.49 74.55 15.00 107 CYS C −25.07 −32.72 77.10 15.00 107 CYS O −23.85 −32.54 77.25 15.00 108 ARG N −25.62 −33.92 77.06 15.00 108 ARG CA −24.80 −35.12 77.17 15.00 108 ARG CB −25.28 −36.03 78.28 15.00 108 ARG CG −25.35 −35.42 79.64 15.00 108 ARG CD −25.75 −36.49 80.66 15.00 108 ARG NE −27.18 −36.72 80.71 15.00 108 ARG CZ −27.75 −37.86 81.09 15.00 108 ARG NH1 −27.00 −38.90 81.43 15.00 108 ARG NH2 −29.07 −37.94 81.22 15.00 108 ARG C −24.85 −35.89 75.85 15.00 108 ARG O −25.59 −36.87 75.72 15.00 109 GLY N −24.11 −35.40 74.87 15.00 109 GLY CA −24.05 −36.03 73.57 15.00 109 GLY C −24.99 −35.44 72.55 15.00 109 GLY O −25.58 −34.38 72.78 15.00 110 TYR N −25.00 −36.06 71.36 15.00 110 TYR CA −25.86 −35.67 70.23 15.00 110 TYR CB −25.19 −34.54 69.43 15.00 110 TYR CG −23.92 −34.95 68.76 15.00 110 TYR CD1 −22.72 −34.87 69.39 15.00 110 TYR CE1 −21.60 −35.34 68.80 15.00 110 TYR CD2 −23.95 −35.49 67.52 15.00 110 TYR CE2 −22.82 −35.97 66.92 15.00 110 TYR CZ −21.64 −35.90 67.55 15.00 110 TYR OH −20.45 −36.35 66.94 15.00 110 TYR C −26.23 −36.85 69.29 15.00 110 TYR O −25.46 −37.79 69.07 15.00 111 ARG N −27.40 −36.72 68.69 15.00 111 ARG CA −27.92 −37.70 67.75 15.00 111 ARG CB −29.27 −38.26 68.26 15.00 111 ARG CG −29.50 −39.79 68.03 15.00 111 ARG CD −28.98 −40.22 66.68 15.00 111 ARG NE −29.52 −41.47 66.17 15.00 111 ARG CZ −30.81 −41.70 65.92 15.00 111 ARG NH1 −31.74 −40.77 66.15 15.00 111 ARG NH2 −31.18 −42.86 65.41 15.00 111 ARG C −28.09 −37.07 66.36 15.00 111 ARG O −28.58 −35.94 66.20 15.00 112 GLU N −27.59 −37.78 65.36 15.00 112 GLU CA −27.69 −37.35 63.96 15.00 112 GLU CB −26.37 −37.55 63.21 15.00 112 GLU CG −25.23 −36.68 63.74 15.00 112 GLU CD −23.92 −36.94 63.06 15.00 112 GLU OE1 −23.53 −36.15 62.19 15.00 112 GLU OE2 −23.25 −37.90 63.42 15.00 112 GLU C −28.84 −38.09 63.31 15.00 112 GLU O −29.00 −39.31 63.50 15.00 113 ILE N −29.66 −37.35 62.57 15.00 113 ILE CA −30.83 −37.86 61.85 15.00 113 ILE CB −31.89 −36.74 61.73 15.00 113 ILE CG2 −32.92 −37.06 60.63 15.00 113 ILE CG1 −32.57 −36.51 63.08 15.00 113 ILE CD1 −33.32 −35.23 63.13 15.00 113 ILE C −30.46 −38.42 60.45 15.00 113 ILE O −29.74 −37.79 59.70 15.00 114 PRO N −30.93 −39.62 60.13 15.00 114 PRO CD −31.77 −40.50 60.95 15.00 114 PRO CA −30.66 −40.27 58.84 15.00 114 PRO CB −31.85 −41.21 58.73 15.00 114 PRO CG −31.86 −41.77 60.07 15.00 114 PRO C −30.61 −39.34 57.65 15.00 114 PRO O −31.62 −38.83 57.20 15.00 115 GLU N −29.44 −39.26 57.05 15.00 115 GLU CA −29.18 −38.44 55.87 15.00 115 GLU CB −27.80 −38.78 55.30 15.00 115 GLU CG −27.56 −38.41 53.84 15.00 115 GLU CD −26.48 −39.24 53.21 15.00 115 GLU OE1 −26.78 −40.40 52.85 15.00 115 GLU OE2 −25.33 −38.75 53.12 15.00 115 GLU C −30.20 −38.50 54.78 15.00 115 GLU O −30.37 −39.53 54.16 15.00 116 GLY N −30.90 −37.40 54.58 15.00 116 GLY CA −31.88 −37.30 53.52 15.00 116 GLY C −33.29 −37.78 53.79 15.00 116 GLY O −34.11 −37.73 52.87 15.00 117 ASN N −33.56 −38.25 55.01 15.00 117 ASN CA −34.89 −38.73 55.36 15.00 117 ASN CB −34.76 −40.00 56.22 15.00 117 ASN CG −36.06 −40.77 56.33 15.00 117 ASN OD1 −37.13 −40.29 55.89 15.00 117 ASN ND2 −35.99 −41.96 56.91 15.00 117 ASN C −35.76 −37.69 56.07 15.00 117 ASN O −35.55 −37.38 57.23 15.00 118 GLU N −36.72 −37.13 55.34 15.00 118 GLU CA −37.65 −36.15 55.89 15.00 118 GLU CB −38.29 −35.34 54.78 15.00 118 GLU CG −37.31 −34.44 54.07 15.00 118 GLU CD −38.00 −33.61 53.01 15.00 118 GLU OE1 −38.09 −34.08 51.85 15.00 118 GLU OE2 −38.48 −32.51 53.32 15.00 118 GLU C −38.73 −36.78 56.75 15.00 118 GLU O −39.42 −36.09 57.50 15.00 119 LYS N −38.84 −38.11 56.68 15.00 119 LYS CA −39.82 −38.82 57.49 15.00 119 LYS CB −40.11 −40.20 56.91 15.00 119 LYS CG −40.84 −41.15 57.86 15.00 119 LYS CD −41.21 −42.46 57.19 15.00 119 LYS CE −39.98 −43.29 56.80 15.00 119 LYS NZ −38.99 −43.60 57.92 15.00 119 LYS C −39.24 −38.95 58.88 15.00 119 LYS O −39.97 −38.92 59.86 15.00 120 ALA N −37.92 −39.06 58.95 15.00 120 ALA CA −37.26 −39.21 60.24 15.00 120 ALA CB −35.86 −39.73 60.05 15.00 120 ALA C −37.20 −37.84 60.87 15.00 120 ALA O −37.26 −37.70 62.09 15.00 121 LEU N −37.08 −36.82 60.03 15.00 121 LEU CA −36.98 −35.45 60.51 15.00 121 LEU CB −36.44 −34.53 59.41 15.00 121 LEU CG −36.17 −33.05 59.73 15.00 121 LEU CD1 −35.09 −32.86 60.74 15.00 121 LEU CD2 −35.74 −32.40 58.46 15.00 121 LEU C −38.30 −34.95 61.07 15.00 121 LEU O −38.33 −34.36 62.16 15.00 122 LYS N −39.40 −35.27 60.39 15.00 122 LYS CA −40.71 −34.88 60.89 15.00 122 LYS CB −41.80 −35.31 59.90 15.00 122 LYS CG −43.25 −35.03 60.34 15.00 122 LYS CD −44.28 −35.77 59.47 15.00 122 LYS CE −45.67 −35.70 60.08 15.00 122 LYS NZ −46.60 −36.58 59.32 15.00 122 LYS C −40.88 −35.54 62.26 15.00 122 LYS O −41.33 −34.90 63.22 15.00 123 ARG N −40.48 −36.81 62.38 15.00 123 ARG CA −40.58 −37.50 63.65 15.00 123 ARG CB −40.25 −38.98 63.52 15.00 123 ARG CG −41.30 −39.84 62.88 15.00 123 ARG CD −41.30 −41.21 63.51 15.00 123 ARG NE −39.95 −41.78 63.60 15.00 123 ARG CZ −39.25 −42.23 62.56 15.00 123 ARG NH1 −39.75 −42.19 61.32 15.00 123 ARG NH2 −38.05 −42.77 62.77 15.00 123 ARG C −39.70 −36.88 64.73 15.00 123 ARG O −40.18 −36.62 65.83 15.00 124 ALA N −38.45 −36.57 64.41 15.00 124 ALA CA −37.57 −35.99 65.43 15.00 124 ALA CB −36.19 −35.74 64.86 15.00 124 ALA C −38.12 −34.71 66.02 15.00 124 ALA O −38.00 −34.46 67.22 15.00 125 VAL N −38.77 −33.92 65.17 15.00 125 VAL CA −39.36 −32.62 65.52 15.00 125 VAL CB −39.54 −31.74 64.24 15.00 125 VAL CG1 −40.40 −30.50 64.54 15.00 125 VAL CG2 −38.15 −31.36 63.70 15.00 125 VAL C −40.70 −32.75 66.24 15.00 125 VAL O −41.14 −31.81 66.92 15.00 126 ALA N −41.40 −33.85 66.02 15.00 126 ALA CA −42.67 −34.05 66.68 15.00 126 ALA CB −43.57 −35.00 65.86 15.00 126 ALA C −42.42 −34.59 68.08 15.00 126 ALA O −42.99 −34.11 69.06 15.00 127 ARG N −41.47 −35.52 68.18 15.00 127 ARG CA −41.15 −36.15 69.47 15.00 127 ARG CB −40.71 −37.61 69.26 15.00 127 ARG CG −41.77 −38.56 68.76 15.00 127 ARG CD −42.88 −38.82 69.77 15.00 127 ARG NE −43.75 −39.92 69.33 15.00 127 ARG CZ −44.83 −40.35 69.98 15.00 127 ARG NH1 −45.54 −41.36 69.47 15.00 127 ARG NH2 −45.21 −39.78 71.13 15.00 127 ARG C −40.13 −35.44 70.36 15.00 127 ARG O −40.28 −35.42 71.58 15.00 128 VAL N −39.07 −34.89 69.76 15.00 128 VAL CA −37.97 −34.24 70.49 15.00 128 VAL CB −36.63 −34.58 69.81 15.00 128 VAL CG1 −35.45 −34.03 70.61 15.00 128 VAL CG2 −36.48 −36.07 69.66 15.00 128 VAL C −38.10 −32.73 70.56 15.00 128 VAL O −37.92 −32.12 71.63 15.00 129 GLY N −38.44 −32.14 69.42 15.00 129 GLY CA −38.57 −30.70 69.33 15.00 129 GLY C −37.60 −30.09 68.33 15.00 129 GLY O −37.12 −30.79 67.45 15.00 130 PRO N −37.31 −28.77 68.42 15.00 130 PRO CD −37.83 −27.89 69.47 15.00 130 PRO CA −36.40 −28.02 67.54 15.00 130 PRO CB −36.13 −26.77 68.34 15.00 130 PRO CG −37.40 −26.52 68.98 15.00 130 PRO C −35.13 −28.78 67.19 15.00 130 PRO O −34.38 −29.24 68.05 15.00 131 VAL N −34.91 −28.91 65.89 15.00 131 VAL CA −33.78 −29.63 65.37 15.00 131 VAL CB −34.27 −30.83 64.56 15.00 131 VAL CG1 −33.10 −31.52 63.87 15.00 131 VAL CG2 −35.02 −31.76 65.47 15.00 131 VAL C −32.91 −28.75 64.48 15.00 131 VAL O −33.43 −28.02 63.65 15.00 132 SER N −31.60 −28.85 64.68 15.00 132 SER CA −30.59 −28.13 63.91 15.00 132 SER CB −29.21 −28.32 64.54 15.00 132 SER OG −28.89 −27.37 65.52 15.00 132 SER C −30.50 −28.73 62.50 15.00 132 SER O −30.34 −29.94 62.34 15.00 133 VAL N −30.47 −27.87 61.50 15.00 133 VAL CA −30.38 −28.36 60.13 15.00 133 VAL CB −31.75 −28.35 59.45 15.00 133 VAL CG1 −32.73 −29.24 60.17 15.00 133 VAL CG2 −32.30 −26.98 59.41 15.00 133 VAL C −29.52 −27.41 59.35 15.00 133 VAL O −29.29 −26.29 59.79 15.00 134 ALA N −29.14 −27.85 58.15 15.00 134 ALA CA −28.32 −27.08 57.22 15.00 134 ALA CB −26.99 −27.75 56.97 15.00 134 ALA C −29.14 −27.06 55.95 15.00 134 ALA O −29.99 −27.92 55.71 15.00 135 ILE N −28.79 −26.11 55.09 15.00 135 ILE CA −29.49 −25.93 53.83 15.00 135 ILE CB −30.82 −25.12 54.04 15.00 135 ILE CG2 −31.90 −26.00 54.64 15.00 135 ILE CG1 −30.57 −23.83 54.85 15.00 135 ILE CD1 −31.76 −22.91 54.86 15.00 135 ILE C −28.69 −25.16 52.82 15.00 135 ILE O −27.58 −24.73 53.10 15.00 136 ASP N −29.20 −25.10 51.61 15.00 136 ASP CA −28.56 −24.32 50.56 15.00 136 ASP CB −28.74 −24.95 49.18 15.00 136 ASP CG −28.23 −24.06 48.08 15.00 136 ASP OD1 −28.28 −24.45 46.91 15.00 136 ASP OD2 −27.73 −22.96 48.35 15.00 136 ASP C −29.32 −23.01 50.62 15.00 136 ASP O −30.51 −22.93 50.35 15.00 137 ALA N −28.59 −21.94 50.84 15.00 137 ALA CA −29.23 −20.64 50.97 15.00 137 ALA CB −29.22 −20.22 52.43 15.00 137 ALA C −28.65 −19.55 50.07 15.00 137 ALA O −28.89 −18.38 50.30 15.00 138 SER N −27.97 −19.97 49.00 15.00 138 SER CA −27.34 −19.06 48.03 15.00 138 SER CB −26.28 −19.80 47.23 15.00 138 SER OG −26.71 −21.14 47.02 15.00 138 SER C −28.32 −18.41 47.07 15.00 138 SER O −28.09 −17.29 46.57 15.00 139 LEU N −29.42 −19.14 46.81 15.00 139 LEU CA −30.44 −18.68 45.87 15.00 139 LEU CB −31.60 −19.68 45.83 15.00 139 LEU CG −31.57 −20.77 44.76 15.00 139 LEU CD1 −31.68 −20.14 43.39 15.00 139 LEU CD2 −30.29 −21.58 44.84 15.00 139 LEU C −30.95 −17.30 46.25 15.00 139 LEU O −31.39 −17.09 47.37 15.00 140 THR N −30.99 −16.39 45.28 15.00 140 THR CA −31.41 −15.04 45.54 15.00 140 THR CB −31.16 −14.10 44.30 15.00 140 THR OG1 −30.83 −14.87 43.13 15.00 140 THR CG2 −30.00 −13.22 44.59 15.00 140 THR C −32.86 −14.97 46.00 15.00 140 THR O −33.25 −14.00 46.66 15.00 141 SER N −33.65 −15.99 45.68 15.00 141 SER CA −35.05 −16.03 46.09 15.00 141 SER CB −35.80 −17.14 45.35 15.00 141 SER OG −34.95 −18.27 45.17 15.00 141 SER C −35.15 −16.16 47.60 15.00 141 SER O −35.95 −15.48 48.25 15.00 142 PHE N −34.23 −16.95 48.15 15.00 142 PHE CA −34.11 −17.19 49.58 15.00 142 PHE CB −32.92 −18.13 49.84 15.00 142 PHE CG −32.94 −18.73 51.21 15.00 142 PHE CD1 −33.41 −20.03 51.41 15.00 142 PHE CD2 −32.54 −17.97 52.34 15.00 142 PHE CE1 −33.50 −20.55 52.67 15.00 142 PHE CE2 −32.63 −18.49 53.60 15.00 142 PHE CZ −33.10 −19.77 53.78 15.00 142 PHE C −33.90 −15.87 50.34 15.00 142 PHE O −34.57 −15.60 51.33 15.00 143 GLN N −33.02 −15.01 49.84 15.00 143 GLN CA −32.74 −13.74 50.49 15.00 143 GLN CB −31.45 −13.14 49.95 15.00 143 GLN CG −30.34 −14.15 49.75 15.00 143 GLN CD −29.07 −13.49 49.24 15.00 143 GLN OE1 −29.02 −12.26 49.08 15.00 143 GLN NE2 −28.02 −14.29 49.00 15.00 143 GLN C −33.90 −12.76 50.35 15.00 143 GLN O −34.20 −12.02 51.29 15.00 144 PHE N −34.58 −12.77 49.20 15.00 144 PHE CA −35.72 −11.87 49.00 15.00 144 PHE CB −35.76 −11.31 47.56 15.00 144 PHE CG −34.56 −10.48 47.21 15.00 144 PHE CD1 −34.12 −9.49 48.08 15.00 144 PHE CD2 −33.89 −10.69 46.02 15.00 144 PHE CE1 −33.03 −8.71 47.77 15.00 144 PHE CE2 −32.80 −9.92 45.68 15.00 144 PHE CZ −32.36 −8.93 46.55 15.00 144 PHE C −37.07 −12.48 49.36 15.00 144 PHE O −38.09 −11.81 49.24 15.00 145 TYR N −37.08 −13.74 49.80 15.00 145 TYR CA −38.31 −14.45 50.22 15.00 145 TYR CB −37.94 −15.77 50.96 15.00 145 TYR CG −39.07 −16.36 51.80 15.00 145 TYR CD1 −39.94 −17.34 51.29 15.00 145 TYR CE1 −41.00 −17.82 52.05 15.00 145 TYR CD2 −39.30 −15.88 53.10 15.00 145 TYR CE2 −40.33 −16.32 53.86 15.00 145 TYR CZ −41.19 −17.29 53.34 15.00 145 TYR OH −42.25 −17.67 54.16 15.00 145 TYR C −39.14 −13.55 51.14 15.00 145 TYR O −38.60 −12.81 51.97 15.00 146 SER N −40.45 −13.64 51.02 15.00 146 SER CA −41.31 −12.83 51.88 15.00 146 SER CB −41.74 −11.55 51.16 15.00 146 SER OG −40.94 −10.40 51.51 15.00 146 SER C −42.53 −13.55 52.45 15.00 146 SER O −42.89 −13.33 53.61 15.00 147 LYS N −43.15 −14.44 51.68 15.00 147 LYS CA −44.33 −15.12 52.17 15.00 147 LYS CB −45.53 −14.22 51.94 15.00 147 LYS CG −45.80 −13.23 53.02 15.00 147 LYS CD −46.76 −12.13 52.55 15.00 147 LYS CE −47.91 −12.66 51.67 15.00 147 LYS NZ −48.65 −13.77 52.35 15.00 147 LYS C −44.63 −16.41 51.41 15.00 147 LYS O −44.45 −16.45 50.20 15.00 148 GLY N −45.09 −17.43 52.10 15.00 148 GLY CA −45.45 −18.66 51.42 15.00 148 GLY C −44.53 −19.82 51.65 15.00 148 GLY O −43.56 −19.73 52.41 15.00 149 VAL N −44.79 −20.91 50.92 15.00 149 VAL CA −43.99 −22.13 50.98 15.00 149 VAL CB −44.85 −23.39 50.69 15.00 149 VAL CG1 −43.98 −24.66 50.78 15.00 149 VAL CG2 −45.98 −23.43 51.62 15.00 149 VAL C −42.91 −22.02 49.90 15.00 149 VAL O −43.22 −22.06 48.72 15.00 150 TYR N −41.68 −21.79 50.34 15.00 150 TYR CA −40.49 −21.66 49.49 15.00 150 TYR CB −39.31 −21.17 50.33 15.00 150 TYR CG −38.07 −21.02 49.48 15.00 150 TYR CD1 −37.90 −19.91 48.65 15.00 150 TYR CE1 −36.75 −19.75 47.90 15.00 150 TYR CD2 −37.05 −21.97 49.52 15.00 150 TYR CE2 −35.89 −21.82 48.77 15.00 150 TYR CZ −35.75 −20.71 47.97 15.00 150 TYR OH −34.59 −20.55 47.26 15.00 150 TYR C −40.04 −22.89 48.73 15.00 150 TYR O −39.72 −23.95 49.29 15.00 151 TYR N −39.88 −22.68 47.44 15.00 151 TYR CA −39.46 −23.73 46.54 15.00 151 TYR CB −40.63 −24.64 46.18 15.00 151 TYR CG −40.18 −25.91 45.48 15.00 151 TYR CD1 −39.56 −26.99 46.24 15.00 151 TYR CE1 −39.05 −28.12 45.59 15.00 151 TYR CD2 −40.31 −25.99 44.05 15.00 151 TYR CE2 −39.83 −27.07 43.37 15.00 151 TYR CZ −39.19 −28.15 44.13 15.00 151 TYR OH −38.66 −29.25 43.41 15.00 151 TYR C −38.86 −23.09 45.29 15.00 151 TYR O −39.45 −22.21 44.68 15.00 152 ASP N −37.66 −23.52 44.96 15.00 152 ASP CA −36.90 −23.04 43.81 15.00 152 ASP CB −35.90 −21.97 44.26 15.00 152 ASP CG −35.26 −21.25 43.08 15.00 152 ASP OD1 −35.42 −20.01 42.99 15.00 152 ASP OD2 −34.63 −21.92 42.23 15.00 152 ASP C −36.16 −24.28 43.31 15.00 152 ASP O −35.56 −25.00 44.09 15.00 153 GLU N −36.16 −24.49 42.00 15.00 153 GLU CA −35.56 −25.67 41.38 15.00 153 GLU CB −36.09 −25.74 39.97 15.00 153 GLU CG −35.94 −24.42 39.26 15.00 153 GLU CD −36.44 −24.48 37.83 15.00 153 GLU OE1 −35.63 −24.12 36.94 15.00 153 GLU OE2 −37.62 −24.87 37.62 15.00 153 GLU C −34.04 −25.70 41.31 15.00 153 GLU O −33.47 −26.73 40.99 15.00 154 SER N −33.39 −24.59 41.60 15.00 154 SER CA −31.95 −24.48 41.56 15.00 154 SER CB −31.59 −23.07 41.09 15.00 154 SER OG −32.22 −22.78 39.85 15.00 154 SER C −31.28 −24.79 42.91 15.00 154 SER O −30.07 −24.67 43.03 15.00 155 CYS N −32.08 −25.19 43.90 15.00 155 CYS CA −31.55 −25.49 45.23 15.00 155 CYS C −30.88 −26.84 45.21 15.00 155 CYS O −31.52 −27.87 45.08 15.00 155 CYS CB −32.63 −25.43 46.33 15.00 155 CYS SG −32.25 −24.44 47.82 15.00 156 ASN N −29.57 −26.79 45.39 15.00 156 ASN CA −28.70 −27.97 45.38 15.00 156 ASN CB −27.30 −27.52 44.99 15.00 156 ASN CG −26.51 −28.59 44.35 15.00 156 ASN OD1 −26.70 −29.78 44.62 15.00 156 ASN ND2 −25.58 −28.18 43.51 15.00 156 ASN C −28.63 −28.71 46.72 15.00 156 ASN O −28.12 −28.19 47.70 15.00 157 SER N −29.09 −29.96 46.73 15.00 157 SER CA −29.09 −30.77 47.95 15.00 157 SER CB −29.77 −32.11 47.70 15.00 157 SER OG −31.03 −31.95 47.10 15.00 157 SER C −27.68 −31.08 48.43 15.00 157 SER O −27.48 −31.52 49.54 15.00 158 ASP N −26.71 −30.93 47.55 15.00 158 ASP CA −25.34 −31.23 47.91 15.00 158 ASP CB −24.69 −32.07 46.78 15.00 158 ASP CG −25.32 −33.44 46.67 15.00 158 ASP OD1 −26.15 −33.63 45.75 15.00 158 ASP OD2 −25.05 −34.30 47.55 15.00 158 ASP C −24.46 −30.07 48.28 15.00 158 ASP O −23.27 −30.25 48.57 15.00 159 ASN N −25.05 −28.88 48.29 15.00 159 ASN CA −24.30 −27.69 48.61 15.00 159 ASN CB −24.34 −26.74 47.42 15.00 159 ASN CG −23.51 −25.49 47.62 15.00 159 ASN OD1 −22.35 −25.55 48.00 15.00 159 ASN ND2 −24.12 −24.33 47.38 15.00 159 ASN C −24.93 −27.03 49.82 15.00 159 ASN O −25.67 −26.05 49.68 15.00 160 LEU N −24.68 −27.59 50.99 15.00 160 LEU CA −25.16 −27.07 52.24 15.00 160 LEU CB −25.06 −28.15 53.29 15.00 160 LEU CG −25.72 −29.45 52.83 15.00 160 LEU CD1 −25.24 −30.64 53.62 15.00 160 LEU CD2 −27.22 −29.26 52.91 15.00 160 LEU C −24.22 −25.95 52.63 15.00 160 LEU O −23.06 −26.21 52.92 15.00 161 ASN N −24.73 −24.74 52.74 15.00 161 ASN CA −23.91 −23.58 53.10 15.00 161 ASN CB −23.61 −22.78 51.83 15.00 161 ASN CG −24.84 −22.55 50.93 15.00 161 ASN OD1 −25.71 −21.74 51.22 15.00 161 ASN ND2 −24.92 −23.31 49.84 15.00 161 ASN C −24.42 −22.67 54.23 15.00 161 ASN O −23.75 −21.70 54.59 15.00 162 HIS N −25.60 −22.96 54.76 15.00 162 HIS CA −26.13 −22.19 55.86 15.00 162 HIS CB −27.12 −21.15 55.35 15.00 162 HIS CG −27.63 −20.21 56.41 15.00 162 HIS CD2 −28.89 −19.99 56.84 15.00 162 HIS ND1 −26.82 −19.39 57.16 15.00 162 HIS CE1 −27.56 −18.68 57.99 15.00 162 HIS NE2 −28.82 −19.03 57.82 15.00 162 HIS C −26.80 −23.11 56.86 15.00 162 HIS O −27.41 −24.10 56.49 15.00 163 ALA N −26.61 −22.84 58.14 15.00 163 ALA CA −27.27 −23.63 59.17 15.00 163 ALA CB −26.35 −23.90 60.32 15.00 163 ALA C −28.47 −22.85 59.65 15.00 163 ALA O −28.43 −21.62 59.83 15.00 164 VAL N −29.53 −23.57 59.97 15.00 164 VAL CA −30.75 −22.92 60.40 15.00 164 VAL CB −31.54 −22.58 59.10 15.00 164 VAL CG1 −32.42 −23.71 58.68 15.00 164 VAL CG2 −32.27 −21.27 59.22 15.00 164 VAL C −31.49 −23.77 61.47 15.00 164 VAL O −31.01 −24.81 61.87 15.00 165 LEU N −32.64 −23.32 61.97 15.00 165 LEU CA −33.33 −24.10 62.98 15.00 165 LEU CB −33.27 −23.41 64.32 15.00 165 LEU CG −33.72 −24.12 65.58 15.00 165 LEU CD1 −32.59 −24.89 66.21 15.00 165 LEU CD2 −34.18 −23.05 66.52 15.00 165 LEU C −34.76 −24.44 62.63 15.00 165 LEU O −35.55 −23.56 62.28 15.00 166 ALA N −35.05 −25.73 62.66 15.00 166 ALA CA −36.37 −26.25 62.37 15.00 166 ALA CB −36.25 −27.61 61.71 15.00 166 ALA C −37.09 −26.35 63.69 15.00 166 ALA O −36.63 −27.02 64.62 15.00 167 VAL N −38.24 −25.69 63.76 15.00 167 VAL CA −39.08 −25.64 64.97 15.00 167 VAL CB −39.16 −24.22 65.61 15.00 167 VAL CG1 −37.79 −23.68 65.96 15.00 167 VAL CG2 −39.89 −23.25 64.67 15.00 167 VAL C −40.52 −26.07 64.76 15.00 167 VAL O −41.40 −25.61 65.46 15.00 168 GLY N −40.78 −26.91 63.77 15.00 168 GLY CA −42.15 −27.34 63.56 15.00 168 GLY C −42.35 −27.62 62.09 15.00 168 GLY O −41.42 −27.58 61.31 15.00 169 TYR N −43.58 −27.95 61.73 15.00 169 TYR CA −43.99 −28.29 60.36 15.00 169 TYR CB −43.51 −29.71 59.99 15.00 169 TYR CG −44.07 −30.82 60.89 15.00 169 TYR CD1 −45.33 −31.41 60.61 15.00 169 TYR CE1 −45.86 −32.39 61.43 15.00 169 TYR CD2 −43.34 −31.27 62.02 15.00 169 TYR CE2 −43.88 −32.28 62.86 15.00 169 TYR CZ −45.12 −32.81 62.55 15.00 169 TYR OH −45.63 −33.71 63.41 15.00 169 TYR C −45.53 −28.26 60.32 15.00 169 TYR O −46.20 −28.25 61.37 15.00 170 GLY N −46.09 −28.23 59.12 15.00 170 GLY CA −47.54 −28.17 58.95 15.00 170 GLY C −47.93 −28.06 57.48 15.00 170 GLY O −47.12 −28.35 56.61 15.00 171 ILE N −49.14 −27.61 57.17 15.00 171 ILE CA −49.55 −27.54 55.77 15.00 171 ILE CB −50.30 −28.85 55.41 15.00 171 ILE CG2 −51.37 −29.17 56.40 15.00 171 ILE CG1 −50.79 −28.82 53.99 15.00 171 ILE CD1 −51.11 −30.20 53.45 15.00 171 ILE C −50.38 −26.29 55.43 15.00 171 ILE O −51.37 −26.02 56.10 15.00 172 GLN N −49.93 −25.52 54.44 15.00 172 GLN CA −50.64 −24.31 54.01 15.00 172 GLN CB −49.68 −23.10 54.05 15.00 172 GLN CG −50.30 −21.69 53.87 15.00 172 GLN CD −49.27 −20.56 53.75 15.00 172 GLN OE1 −48.07 −20.77 53.89 15.00 172 GLN NE2 −49.74 −19.35 53.49 15.00 172 GLN C −51.25 −24.41 52.63 15.00 t72 GLN O −50.56 −24.19 51.64 15.00 173 LYS N −52.55 −24.75 52.57 15.00 173 LYS CA −53.33 −24.85 51.32 15.00 173 LYS CB −53.40 −23.48 50.61 15.00 173 LYS CG −54.16 −22.39 51.36 15.00 173 LYS CD −53.57 −22.02 52.75 15.00 173 LYS CE −54.37 −22.65 53.92 15.00 173 LYS NZ −54.04 −22.06 55.23 15.00 173 LYS C −52.85 −25.93 50.36 15.00 173 LYS O −52.73 −25.69 49.15 15.00 174 GLY N −52.61 −27.11 50.90 15.00 174 GLY CA −52.15 −28.21 50.08 15.00 174 GLY C −50.64 −28.26 50.03 15.00 174 GLY O −50.08 −29.23 49.53 15.00 175 ASN N −49.97 −27.25 50.58 15.00 175 ASN CA −48.52 −27.27 50.57 15.00 175 ASN CB −47.92 −26.00 49.95 15.00 175 ASN CG −48.48 −25.73 48.57 15.00 175 ASN OD1 −48.53 −26.61 47.73 15.00 175 ASN ND2 −48.96 −24.51 48.37 15.00 175 ASN C −47.94 −27.50 51.94 15.00 175 ASN O −48.04 −26.66 52.86 15.00 176 LYS N −47.37 −28.69 52.07 15.00 176 LYS CA −46.71 −29.13 53.27 15.00 176 LYS CB −46.28 −30.61 53.08 15.00 176 LYS CG −47.40 −31.59 52.68 15.00 176 LYS CD −47.20 −32.92 53.41 15.00 176 LYS CE −48.36 −33.85 53.17 15.00 176 LYS NZ −48.49 −34.80 54.30 15.00 176 LYS C −45.51 −28.18 53.48 15.00 176 LYS O −45.12 −27.49 52.55 15.00 177 HIS N −44.94 −28.15 54.68 15.00 177 HIS CA −43.82 −27.26 54.97 15.00 177 HIS CB −44.23 −25.79 54.78 15.00 177 HIS CG −45.19 −25.25 55.82 15.00 177 HIS CD2 −45.07 −25.11 57.17 15.00 177 HIS ND1 −46.37 −24.62 55.49 15.00 177 HIS CE1 −46.93 −24.11 56.58 15.00 177 HIS NE2 −46.16 −24.40 57.61 15.00 177 HIS C −43.08 −27.42 56.30 15.00 177 HIS O −43.62 −27.92 57.28 15.00 178 TRP N −41.81 −27.01 56.29 15.00 178 TRP CA −40.97 −27.01 57.48 15.00 178 TRP CB −39.52 −27.41 57.16 15.00 178 TRP CG −39.34 −28.83 56.89 15.00 178 TRP CD2 −39.46 −29.91 57.82 15.00 178 TRP CE2 −39.29 −31.11 57.09 15.00 178 TRP CE3 −39.70 −29.97 59.20 15.00 178 TRP CD1 −39.09 −29.39 55.68 15.00 178 TRP NE1 −39.07 −30.76 55.78 15.00 178 TRP CZ2 −39.34 −32.38 57.67 15.00 178 TRP CZ3 −39.76 −31.22 59.78 15.00 178 TRP CH2 −39.58 −32.42 59.b1 15.00 178 TRP C −41.00 −25.55 57.95 15.00 178 TRP O −41.12 −24.64 57.14 15.00 179 ILE N −41.04 −25.34 59.26 15.00 179 ILE CA −41.05 −23.98 59.78 15.00 179 ILE CB −41.99 −23.89 60.97 15.00 179 ILE CG2 −41.90 −22.54 61.61 15.00 179 ILE CG1 −43.42 −24.18 60.51 15.00 179 ILE CD1 −44.37 −24.29 61.63 15.00 179 ILE C −39.62 −23.75 60.20 15.00 179 ILE O −39.07 −24.45 61.07 15.00 180 ILE N −38.99 −22.78 59.57 15.00 180 ILE CA −37.58 −22.52 59.86 15.00 180 ILE CB −36.79 −22.59 58.57 15.00 180 ILE CG2 −35.36 −22.38 58.83 15.00 180 ILE CG1 −36.99 −23.93 57.91 15.00 180 ILE CD1 −36.41 −25.01 58.75 15.00 180 ILE C −37.25 −21.18 60.52 15.00 180 ILE O −37.82 −20.13 60.17 15.00 181 LYS N −36.35 −21.19 61.49 15.00 181 LYS CA −35.97 −19.95 62.16 15.00 181 LYS CB −35.83 −20.19 63.65 15.00 181 LYS CG −35.49 −18.92 64.45 15.00 181 LYS CD −35.36 −19.25 65.93 15.00 181 LYS CE −35.01 −18.04 66.76 15.00 181 LYS NZ −34.86 −18.51 68.16 15.00 181 LYS C −34.64 −19.50 61.61 15.00 181 LYS O −33.72 −20.32 61.54 15.00 182 ASN N −34.49 −18.23 61.27 15.00 182 ASN CA −33.22 −17.79 60.71 15.00 182 ASN CB −33.45 −17.10 59.34 15.00 182 ASN CG −32.32 −17.37 58.34 15.00 182 ASN OD1 −31.30 −18.02 58.65 15.00 182 ASN ND2 −32.53 −16.89 57.09 15.00 182 ASN C −32.54 −16.84 61.68 15.00 182 ASN O −33.16 −16.31 62.60 15.00 183 SER N −31.25 −16.64 61.45 15.00 183 SER CA −30.40 −15.74 62.23 15.00 183 SER CB −29.16 −16.50 62.75 15.00 183 SER OG −28.52 −17.33 61.76 15.00 183 SER C −29.95 −14.52 61.41 15.00 183 SER O −28.81 −14.06 61.56 15.00 184 TRP N −30.82 −13.98 60.55 15.00 184 TRP CA −30.50 −12.82 59.71 15.00 184 TRP CB −30.71 −13.10 58.22 15.00 184 TRP CG −29.79 −14.06 57.58 15.00 184 TRP CD2 −29.90 −14.58 56.26 15.00 184 TRP CE2 −28.80 −15.45 56.05 15.00 184 TRP CE3 −30.82 −14.38 55.22 15.00 184 TRP CD1 −28.66 −14.61 58.11 15.00 184 TRP NE1 −28.06 −15.46 57.20 15.00 184 TRP CZ2 −28.59 −16.14 54.84 15.00 184 TRP CZ3 −30.63 −15.04 54.04 15.00 184 TRP CH2 −29.52 −15.92 53.84 15.00 184 TRP C −31.34 −11.59 60.02 15.00 184 TRP O −31.41 −10.70 59.18 15.00 185 GLY N −31.95 −11.51 61.20 15.00 185 GLY CA −32.75 −10.34 61.52 15.00 185 GLY C −34.24 −10.61 61.41 15.00 185 GLY O −34.63 −11.61 60.82 15.00 186 GLU N −35.09 −9.75 61.96 15.00 186 GLU CA −36.52 −10.00 61.83 15.00 186 GLU CB −37.32 −9.44 63.01 15.00 186 GLU CG −36.65 −9.45 64.34 15.00 186 GLU CD −37.34 −8.56 65.32 15.00 186 GLU OE1 −36.68 −8.08 66.25 15.00 186 GLU OE2 −38.55 −8.32 65.21 15.00 186 GLU C −36.99 −9.30 60.56 15.00 186 GLU O −38.10 −9.52 60.08 15.00 187 ASN N −36.14 −8.44 60.02 15.00 187 ASN CA −36.46 −7.68 58.83 15.00 187 ASN CB −35.60 −6.42 58.79 15.00 187 ASN CG −35.84 −5.51 59.97 15.00 187 ASN OD1 −34.92 −4.82 60.44 15.00 187 ASN ND2 −37.10 −5.46 60.45 15.00 187 ASN C −36.21 −8.52 57.60 15.00 187 ASN O −36.21 −8.00 56.49 15.00 188 TRP N −35.89 −9.79 57.81 15.00 188 TRP CA −35.66 −10.68 56.68 15.00 188 TRP CB −34.39 −11.49 56.84 15.00 188 TRP CG −34.20 −12.53 55.78 15.00 188 TRP CD2 −34.69 −13.89 55.77 15.00 188 TRP CE2 −34.21 −14.49 54.59 15.00 188 TRP CE3 −35.48 −14.67 56.67 15.00 188 TRP CD1 −33.48 −12.37 54.63 15.00 188 TRP NE1 −33.48 −13.54 53.91 15.00 188 TRP CZ2 −34.50 −15.83 54.26 15.00 188 TRP CZ3 −35.76 −15.96 56.35 15.00 188 TRP CH2 −35.28 −16.55 55.16 15.00 188 TRP C −36.80 −11.63 56.71 15.00 188 TRP O −37.29 −11.96 57.78 15.00 189 GLY N −37.22 −12.09 55.53 15.00 189 GLY CA −38.30 −13.05 55.42 15.00 189 GLY C −39.53 −12.66 56.18 15.00 189 GLY O −39.85 −11.50 56.32 15.00 190 ASN N −40.23 −13.64 56.73 15.00 190 ASN CA −41.43 −13.31 57.46 15.00 190 ASN CB −42.42 −14.44 57.30 15.00 190 ASN CG −43.81 −14.05 57.76 15.00 190 ASN OD1 −44.10 −12.89 58.14 15.00 190 ASN ND2 −44.72 −15.00 57.62 15.00 190 ASN C −41.04 −13.20 58.90 15.00 190 ASN O −40.92 −14.22 59.57 15.00 191 LYS N −40.80 −11.98 59.38 15.00 191 LYS CA −40.39 −11.79 60.76 15.00 191 LYS CB −41.62 −11.71 61.67 15.00 191 LYS CG −42.53 −10.45 61.51 15.00 191 LYS CD −43.64 −10.73 60.48 15.00 191 LYS CE −44.65 −9.57 60.22 15.00 191 LYS NZ −44.60 −8.96 58.86 15.00 191 LYS C −39.36 −12.83 61.26 15.00 191 LYS O −39.58 −13.50 62.27 15.00 192 GLY N −38.25 −12.96 60.52 15.00 192 GLY CA −37.17 −13.89 60.87 15.00 192 GLY C −37.47 −15.35 60.56 15.00 192 GLY O −36.64 −16.20 60.86 15.00 193 TYR N −38.59 −15.63 59.91 15.00 193 TYR CA −38.89 −17.04 59.63 15.00 193 TYR CB −40.12 −17.53 60.44 15.00 193 TYR CG −39.91 −17.72 61.94 15.00 193 TYR CD1 −39.96 −16.63 62.83 15.00 193 TYR CE1 −39.79 −16.81 64.19 15.00 193 TYR CD2 −39.69 −18.99 62.47 15.00 193 TYR CE2 −39.52 −19.20 63.79 15.00 193 TYR CZ −39.56 −18.12 64.67 15.00 193 TYR OH −39.33 −18.34 66.03 15.00 193 TYR C −39.11 −17.29 58.14 15.00 193 TYR O −39.23 −16.35 57.35 15.00 194 ILE N −39.08 −18.56 57.75 15.00 194 ILE CA −39.32 −18.92 56.37 15.00 194 ILE CB −37.98 −18.83 55.52 15.00 194 ILE CG2 −36.90 −19.78 56.01 15.00 194 ILE CG1 −38.23 −19.04 54.02 15.00 194 ILE CD1 −36.98 −19.00 53.22 15.00 194 ILE C −39.99 −20.30 56.33 15.00 194 ILE O −39.67 −21.15 57.18 15.00 195 LEU N −41.01 −20.45 55.48 15.00 195 LEU CA −41.71 −21.72 55.30 15.00 195 LEU CB −43.20 −21.48 55.00 15.00 195 LEU CG −43.96 −20.94 56.22 15.00 195 LEU CD1 −45.35 −20.46 55.85 15.00 195 LEU CD2 −44.03 −22.03 57.28 15.00 195 LEU C −41.08 −22.46 54.14 15.00 195 LEU O −41.24 −22.03 52.99 15.00 196 MET N −40.38 −23.55 54.41 15.00 196 MET CA −39.73 −24.28 53.34 15.00 196 MET CB −38.30 −24.61 53.74 15.00 196 MET CG −37.40 −23.37 53.79 15.00 196 MET SD −35.72 −23.74 54.33 15.00 196 MET CE −35.19 −24.86 53.02 15.00 196 MET C −40.45 −25.54 52.91 15.00 196 MET O −40.92 −26.29 53.76 15.00 197 ALA N −40.52 −25.77 51.61 15.00 197 ALA CA −41.19 −26.95 51.06 15.00 197 ALA CB −40.98 −26.99 49.58 15.00 197 ALA C −40.77 −28.28 51.69 15.00 197 ALA O −39.59 −28.51 51.93 15.00 198 ARG N −41.77 −29.13 51.96 15.00 198 ARG CA −41.53 −30.45 52.55 15.00 198 ARG CB −42.18 −30.53 53.94 15.00 198 ARG CG −42.26 −31.94 54.56 15.00 198 ARG CD −42.45 −31.86 56.05 15.00 198 ARG NE −43.59 −31.03 56.41 15.00 198 ARG CZ −44.85 −31.46 56.47 15.00 198 ARG NH1 −45.11 −32.72 56.19 15.00 198 ARG NH2 −45.84 −30.65 56.84 15.00 198 ARG C −42.05 −31.55 51.67 15.00 198 ARG O −43.07 −31.41 50.99 15.00 199 ASN N −41.39 −32.69 51.77 15.00 199 ASN CA −41.70 −33.89 51.02 15.00 199 ASN CB −43.17 −34.27 51.14 15.00 199 ASN CG −43.54 −34.74 52.54 15.00 199 ASN OD1 −42.66 −34.97 53.39 15.00 199 ASN ND2 −44.84 −34.86 52.79 15.00 199 ASN C −41.32 −33.73 49.56 15.00 199 ASN O −41.24 −34.72 48.84 15.00 200 LYS N −41.04 −32.51 49.14 15.00 200 LYS CA −40.66 −32.31 47.77 15.00 200 LYS CB −40.98 −30.88 47.33 15.00 200 LYS CG −42.41 −30.50 47.40 15.00 200 LYS CD −42.69 −29.14 46.77 15.00 200 LYS CE −42.63 −29.16 45.28 15.00 200 LYS NZ −43.85 −29.82 44.77 15.00 200 LYS C −39.20 −32.67 47.45 15.00 200 LYS O −38.40 −31.81 47.09 15.00 201 ASN N −38.85 −33.95 47.62 15.00 201 ASN CA −37.50 −34.49 47.34 15.00 201 ASN CB −37.30 −34.62 45.82 15.00 201 ASN CG −38.27 −35.59 45.16 15.00 201 ASN OD1 −37.88 −36.36 44.27 15.00 201 ASN ND2 −39.56 −35.52 45.54 15.00 201 ASN C −36.34 −33.71 47.95 15.00 201 ASN O −35.58 −33.08 47.22 15.00 202 ASN N −36.22 −33.75 49.28 15.00 202 ASN CA −35.14 −33.08 50.02 15.00 202 ASN CB −33.88 −33.93 49.92 15.00 202 ASN CG −33.05 −33.91 51.18 15.00 202 ASN OD1 −33.57 −33.92 52.30 15.00 202 ASN ND2 −31.73 −33.90 51.01 15.00 202 ASN C −34.85 −31.68 49.53 15.00 202 ASN O −33.72 −31.35 49.20 15.00 203 ALA N −35.85 −30.82 49.54 15.00 203 ALA H −36.60 −31.08 50.11 15.00 203 ALA CA −35.72 −29.46 49.02 15.00 203 ALA CB −36.91 −28.60 49.43 15.00 203 ALA C −34.46 −28.80 49.61 15.00 203 ALA O −34.31 −28.70 50.79 15.00 204 CYS N −33.59 −28.31 48.74 15.00 204 CYS CA −32.40 −27.62 49.21 15.00 204 CYS C −31.47 −28.47 50.07 15.00 204 CYS O −30.40 −28.02 50.45 15.00 204 CYS CB −32.76 −26.38 50.00 15.00 204 CYS SG −33.64 −25.09 49.12 15.00 205 GLY N −31.91 −29.64 50.49 15.00 205 GLY CA −31.04 −30.48 51.28 15.00 205 GLY C −31.30 −30.32 52.77 15.00 205 GLY O −30.40 −30.54 53.58 15.00 206 ILE N −32.52 −29.94 53.13 15.00 206 ILE CA −32.90 −29.75 54.52 15.00 206 ILE CB −34.33 −29.12 54.62 15.00 206 ILE CG2 −35.41 −30.09 54.17 15.00 206 ILE CG1 −34.60 −28.70 56.06 15.00 206 ILE CD1 −35.73 −27.69 56.23 15.00 206 ILE C −32.75 −31.00 55.45 15.00 206 ILE O −32.59 −30.85 56.66 15.00 207 ALA N −32.81 −32.22 54.92 15.00 207 ALA CA −32.67 −33.38 55.79 15.00 207 ALA CB −33.80 −34.33 55.58 15.00 207 ALA C −31.34 −34.09 55.63 15.00 207 ALA O −31.17 −35.20 56.13 15.00 208 ASN N −30.36 −33.45 55.00 15.00 208 ASN CA −29.04 −34.07 54.76 15.00 208 ASN CB −28.34 −33.45 53.52 15.00 208 ASN CG −28.78 −34.07 52.18 15.00 208 ASN OD1 −29.25 −35.21 52.11 15.00 208 ASN ND2 −28.60 −33.31 51.12 15.00 208 ASN C −28.08 −34.01 55.94 15.00 208 ASN O −27.28 −34.93 56.15 15.00 209 LEU N −28.08 −32.88 56.64 15.00 209 LEU CA −27.19 −32.64 57.78 15.00 209 LEU CB −26.07 −31.64 57.40 15.00 209 LEU CG −24.73 −31.69 58.15 15.00 209 LEU CD1 −24.11 −33.07 58.09 15.00 209 LEU CD2 −23.76 −30.66 57.52 15.00 209 LEU C −27.97 −32.12 59.02 15.00 209 LEU O −27.72 −30.99 59.50 15.00 210 ALA N −28.79 −32.99 59.65 15.00 210 ALA H −29.19 −33.47 58.90 15.00 210 ALA CA −29.59 −32.51 60.77 15.00 210 ALA CB −31.08 −32.79 60.54 15.00 210 ALA C −29.19 −33.24 62.06 15.00 210 ALA O −28.91 −34.44 62.09 15.00 211 SER N −29.24 −32.48 63.17 15.00 211 SER CA −28.94 −33.06 64.47 15.00 211 SER CB −27.44 −33.22 64.70 15.00 211 SER OG −26.78 −31.96 64.75 15.00 211 SER C −29.57 −32.31 65.62 15.00 211 SER O −30.17 −31.24 65.41 15.00 212 PHE N −29.43 −32.92 66.81 15.00 212 PHE CA −29.96 −32.40 68.07 15.00 212 PHE CB −31.46 −32.75 68.27 15.00 212 PHE CG −31.78 −34.22 68.27 15.00 212 PHE CD1 −32.33 −34.84 67.14 15.00 212 PHE CD2 −31.61 −34.97 69.41 15.00 212 PHE CE1 −32.71 −36.19 67.17 15.00 212 PHE CE2 −31.98 −36.30 69.45 15.00 212 PHE CZ −32.54 −36.91 68.33 15.00 212 PHE C −29.16 −32.88 69.27 15.00 212 PHE O −28.56 −33.95 69.23 15.00 213 PRO N −29.11 −32.06 70.33 15.00 213 PRO CD −29.69 −30.71 70.50 15.00 213 PRO CA −28.36 −32.43 71.53 15.00 213 PRO CB −28.14 −31.08 72.20 15.00 213 PRO CG −29.45 −30.47 72.01 15.00 213 PRO C −29.19 −33.38 72.46 15.00 213 PRO O −30.42 −33.47 72.36 15.00 214 LYS N −28.53 −34.16 73.30 15.00 214 LYS CA −29.24 −35.05 74.22 15.00 214 LYS CB −28.57 −36.43 74.20 15.00 214 LYS CG −28.79 −37.24 72.91 15.00 214 LYS CD −28.01 −38.56 72.92 15.00 214 LYS CE −28.46 −39.53 71.81 15.00 214 LYS NZ −27.39 −40.57 71.71 15.00 214 LYS C −29.05 −34.34 75.56 15.00 214 LYS O −27.98 −33.76 75.79 15.00 215 MET N −30.08 −34.35 76.41 15.00 215 MET CA −29.99 −33.65 77.70 15.00 215 MET CB −31.12 −32.61 77.90 15.00 215 MET CG −30.96 −31.28 77.20 15.00 215 MET SD −29.93 −30.01 77.96 15.00 215 MET CE −31.16 −28.81 78.53 15.00 215 MET C −29.93 −34.56 78.90 15.00 215 MET OT1 −28.98 −34.44 79.69 15.00 215 MET OT2 −30.83 −35.40 79.08 15.00 216 HOH OH2 −32.26 −16.46 65.37 15.00 217 HOH OH2 −29.10 −19.91 62.23 15.00 218 HOH OH2 −10.46 −12.34 64.01 15.00 219 HOH OH2 −16.64 −12.04 73.86 15.00 220 HOH OH2 −35.65 −23.61 70.00 15.00 221 HOH OH2 −30.42 −35.41 58.75 15.00 222 HOH OH2 −31.55 −20.39 66.10 15.00 223 HOH OH2 −25.68 −31.53 62.01 15.00 224 HOH OH2 −12.63 −8.84 62.20 15.00 225 HOH OH2 −14.75 −22.14 66.35 15.00 226 HOH OH2 −44.50 −27.54 49.50 15.00 227 HOH OH2 −46.66 −35.25 56.37 15.00 228 HOH OH2 −41.69 −17.81 69.13 15.00 229 HOH OH2 −31.65 −20.57 63.48 15.00 230 HOH OH2 −19.45 −17.08 56.43 15.00 231 HOH OH2 −14.47 −31.20 62.15 15.00 232 HOH OH2 −44.49 −25.37 44.32 15.00 233 HOH OH2 −23.11 −31.07 62.02 15.00 234 HOH OH2 −24.80 −4.69 68.36 15.00 235 HOH OH2 −31.22 −18.66 68.39 15.00 236 HOH OH2 −37.21 −27.28 51.82 15.00 237 HOH OH2 −37.54 −25.42 49.65 15.00 238 HOH OH2 −48.22 −33.37 57.46 15.00 239 HOH OH2 −29.06 −10.11 76.59 15.00 240 HOH OH2 −35.53 −14.09 77.20 15.00 241 HOH OH2 −16.66 −4.74 70.29 15.00 242 HOH OH2 −17.42 −8.40 75.32 15.00 243 HOH OH2 −10.92 −18.14 70.16 15.00 244 HOH OH2 −9.58 −20.04 78.06 15.00 245 HOH OH2 −46.35 −17.06 54.42 15.00 246 HOH OH2 −34.19 −29.40 45.76 15.00 247 HOH OH2 −36.78 −37.90 52.62 15.00 248 HOH OH2 −42.43 −35.18 56.19 15.00 249 HOH OH2 −41.62 −19.52 71.38 15.00 250 HOH OH2 −48.81 −19.01 73.95 15.00 251 HOH OH2 −41.55 −15.71 71.06 15.00 252 HOH OH2 −26.21 −9.24 68.97 15.00 253 HOH OH2 −33.78 −8.96 64.11 15.00 254 HOH OH2 −20.04 −8.25 62.53 15.00 255 HOH OH2 −17.20 −6.33 64.20 15.00 256 HOH OH2 −35.58 −40.12 65.37 15.00 257 HOH OH2 −13.46 −24.38 76.78 15.00 258 HOH OH2 −8.00 −25.77 61.24 15.00 259 HOH OH2 −21.06 −27.44 51.53 15.00 260 HOH OH2 −25.94 −34.05 61.10 15.00 261 HOH OH2 −12.35 −29.04 72.99 15.00 262 HOH OH2 −33.29 −40.38 63.87 15.00 263 HOH OH2 −20.24 −23.70 87.14 15.00 264 HOH OH2 −13.21 −12.02 62.79 15.00 265 HOH OH2 −21.34 −33.08 61.27 15.00 266 HOH OH2 −29.60 −16.68 41.72 15.00 267 HOH OH2 −25.80 −19.25 42.13 15.00 268 HOH OH2 −32.98 −34.45 47.05 15.00 269 HOH OH2 −23.16 −31.07 42.89 15.00 270 HOH OH2 −34.03 −29.11 42.28 15.00 271 HOH OH2 −36.71 −26.01 46.91 15.00

TABLE IX Table of the orthogonal three dimensional coordinates in Ångstroms and B factors (Å²) for the cathepsin K complex with inhibitor 4-[N- [(phenylmethoxy)carbonyl]-L-leucyl]-1-N[N-(methyl)- L-leucyl)]-3-pyrrolidinone Residue Atom X Y Z B  1 ALA CB −54.23 −33.20 65.64 15.00  1 ALA C −53.54 −33.00 63.24 15.00  1 ALA O −52.73 −33.83 62.79 15.00  1 ALA N −54.89 −34.90 63.97 15.00  1 ALA CA −54.65 −33.45 64.19 15.00  2 PRO N −53.49 −31.70 62.91 15.00  2 PRO CD −54.26 −30.56 63.46 15.00  2 PRO CA −52.44 −31.22 62.00 15.00  2 PRO CB −52.58 −29.69 62.07 15.00  2 PRO CG −53.25 −29.45 63.41 15.00  2 PRO C −51.07 −31.68 62.50 15.00  2 PRO O −50.74 −31.50 63.67 15.00  3 ASP N −50.31 −32.35 61.64 15.00  3 ASP CA −48.98 −32.84 62.01 15.00  3 ASP CB −48.55 −33.98 61.08 15.00  3 ASP CG −47.66 −35.01 61.77 15.00  3 ASP OD1 −46.52 −34.66 62.18 15.00  3 ASP OD2 −48.10 −36.17 61.89 15.00  3 ASP C −48.00 −31.68 61.94 15.00  3 ASP O −47.13 −31.65 61.06 15.00  4 SER N −48.12 −30.72 62.85 15.00  4 SER CA −47.23 −29.56 62.86 15.00  4 SER CB −47.87 −28.37 62.15 15.00  4 SER OG −49.05 −27.95 62.82 15.00  4 SER C −46.76 −29.14 64.25 15.00  4 SER O −47.54 −29.19 65.22 15.00  5 VAL N −45.50 −28.70 64.35 15.00  5 VAL CA −44.91 −28.26 65.61 15.00  5 VAL CB −43.77 −29.21 66.10 15.00  5 VAL CG1 −43.35 −28.82 67.51 15.00  5 VAL CG2 −44.19 −30.65 66.04 15.00  5 VAL C −44.29 −26.87 65.45 15.00  5 VAL O −43.47 −26.65 64.55 15.00  6 ASP N −44.64 −25.95 66.33 15.00  6 ASP CA −44.10 −24.60 66.28 15.00  6 ASP CB −45.17 −23.57 65.90 15.00  6 ASP CG −44.59 −22.26 65.40 15.00  6 ASP OD1 −43.41 −21.95 65.68 15.00  6 ASP OD2 −45.34 −21.52 64.73 15.00  6 ASP C −43.52 −24.32 67.66 15.00  6 ASP O −44.20 −23.78 68.53 15.00  7 TYR N −42.27 −24.69 67.85 15.00  7 TYR CA −41.62 −24.50 69.13 15.00  7 TYR CB −40.20 −25.08 69.12 15.00  7 TYR CG −40.20 −26.58 69.20 15.00  7 TYR CD1 −40.68 −27.24 70.33 15.00  7 TYR CE1 −40.76 −28.62 70.38 15.00  7 TYR CD2 −39.81 −27.36 68.11 15.00  7 TYR CE2 −39.89 −28.74 68.15 15.00  7 TYR CZ −40.37 −29.36 69.29 15.00  7 TYR OH −40.51 −30.72 69.31 15.00  7 TYR C −41.63 −23.07 69.62 15.00  7 TYR O −41.57 −22.84 70.83 15.00  8 ARG N −41.74 −22.11 68.70 15.00  8 ARG CA −41.77 −20.68 69.08 15.00  8 ARG CB −41.86 −19.77 67.84 15.00  8 ARG CG −40.77 −19.98 66.80 15.00  8 ARG CD −41.01 −19.12 65.58 15.00  8 ARG NE −42.34 −19.33 65.02 15.00  8 ARG CZ −42.70 −18.96 63.80 15.00  8 ARG NH1 −41.83 −18.36 63.00 15.00  8 ARG NH2 −43.94 −19.18 63.38 15.00  8 ARG C −42.94 −20.39 70.02 15.00  8 ARG O −42.79 −19.67 71.02 15.00  9 LYS N −44.10 −20.98 69.72 15.00  9 LYS CA −45.29 −20.80 70.53 15.00  9 LYS CB −46.53 −21.26 69.78 15.00  9 LYS CG −46.84 −20.43 68.56 15.00  9 LYS CD −48.15 −20.86 67.92 15.00  9 LYS CE −48.39 −20.11 66.62 15.00  9 LYS NZ −49.58 −20.62 65.88 15.00  9 LYS C −45.18 −21.53 71.85 15.00  9 LYS O −45.95 −21.29 72.77 15.00  10 LYS N −44.18 −22.40 71.95 15.00  10 LYS CA −43.99 −23.17 73.16 15.00  10 LYS CB −43.71 −24.63 72.80 15.00  10 LYS CG −44.67 −25.19 71.78 15.00  10 LYS CD −44.34 −26.64 71.49 15.00  10 LYS CE −44.42 −27.48 72.76 15.00  10 LYS NZ −45.74 −27.26 73.43 15.00  10 LYS C −42.92 −22.65 74.11 15.00  10 LYS O −42.70 −23.25 75.15 15.00  11 GLY N −42.24 −21.57 73.73 15.00  11 GLY CA −41.21 −21.00 74.58 15.00  11 GLY C −39.83 −21.65 74.47 15.00  11 GLY O −38.92 −21.31 75.21 15.00  12 TYR N −39.68 −22.56 73.52 15.00  12 TYR CA −38.41 −23.26 73.31 15.00  12 TYR CB −38.63 −24.56 72.54 15.00  12 TYR CG −39.27 −25.70 73.30 15.00  12 TYR CD1 −40.37 −25.50 74.13 15.00  12 TYR CE1 −40.97 −26.57 74.82 15.00  12 TYR CD2 −38.78 −27.00 73.17 15.00  12 TYR CE2 −39.37 −28.07 73.84 15.00  12 TYR CZ −40.45 −27.85 74.66 15.00  12 TYR OH −41.02 −28.91 75.33 15.00  12 TYR C −37.36 −22.43 72.56 15.00  12 TYR O −36.22 −22.86 72.46 15.00  13 VAL N −37.76 −21.27 72.03 15.00  13 VAL CA −36.86 −20.43 71.23 15.00  13 VAL CB −37.38 −20.33 69.78 15.00  13 VAL CG1 −36.34 −19.72 68.89 15.00  13 VAL CG2 −37.75 −21.69 69.26 15.00  13 VAL C −36.62 −19.00 71.75 15.00  13 VAL O −37.55 −18.32 72.18 15.00  14 THR N −35.38 −18.53 71.67 15.00  14 THR CA −35.04 −17.18 72.11 15.00  14 THR CB −33.58 −17.11 72.54 15.00  14 THR OG1 −32.76 −17.76 71.55 15.00  14 THR CG2 −33.39 −17.76 73.88 15.00  14 THR C −35.25 −16.15 70.99 15.00  14 THR O −35.59 −16.51 69.86 15.00  15 PRO N −35.10 −14.85 71.31 15.00  15 PRO CD −35.02 −14.21 72.63 15.00  15 PRO CA −35.29 −13.83 70.27 15.00  15 PRO CB −35.03 −12.54 71.03 15.00  15 PRO CG −35.58 −12.84 72.37 15.00  15 PRO C −34.27 −14.02 69.14 15.00  15 PRO O −33.20 −14.57 69.36 15.00  16 VAL N −34.63 −13.62 67.92 15.00  16 VAL CA −33.72 −13.74 66.79 15.00  16 VAL CB −34.41 −13.41 65.45 15.00  16 VAL CG1 −33.40 −13.43 64.31 15.00  16 VAL CG2 −35.52 −14.40 65.18 15.00  16 VAL C −32.53 −12.82 67.01 15.00  16 VAL O −32.69 −11.69 67.46 15.00  17 LYS N −31.34 −13.30 66.69 15.00  17 LYS CA −30.16 −12.50 66.88 15.00  17 LYS CB −29.27 −13.11 67.95 15.00  17 LYS CG −29.97 −13.18 69.30 15.00  17 LYS CD −29.17 −13.95 70.33 15.00  17 LYS CE −29.96 −14.12 71.61 15.00  17 LYS NZ −31.23 −14.87 71.36 15.00  17 LYS C −29.41 −12.30 65.58 15.00  17 LYS O −29.51 −13.11 64.66 15.00  18 ASN N −28.68 −11.18 65.51 15.00  18 ASN CA −27.89 −10.84 64.33 15.00  18 ASN CB −28.01 −9.37 63.99 15.00  18 ASN CG −27.30 −9.03 62.72 15.00  18 ASN OD1 −27.10 −9.90 61.88 15.00  18 ASN ND2 −26.89 −7.78 62.57 15.00  18 ASN C −26.42 −11.21 64.52 15.00  18 ASN O −25.77 −10.70 65.43 15.00  19 GLN N −25.89 −12.04 63.63 15.00  19 GLN CA −24.50 −12.46 63.73 15.00  19 GLN CB −24.24 −13.75 62.96 15.00  19 GLN CG −24.32 −13.63 61.47 15.00  19 GLN CD −24.07 −14.96 60.80 15.00  19 GLN OE1 −25.01 −15.66 60.43 15.00  19 GLN NE2 −22.81 −15.32 60.65 15.00  19 GLN C −23.48 −11.40 63.36 15.00  19 GLN O −22.32 −11.48 63.76 15.00  20 GLY N −23.90 −10.40 62.59 15.00  20 GLY CA −22.99 −9.33 62.22 15.00  20 GLY C −21.93 −9.72 61.22 15.00  20 GLY O −22.06 −10.71 60.52 15.00  21 GLN N −20.86 −8.94 61.15 15.00  21 GLN CA −19.79 −9.22 60.22 15.00  21 GLN CB −19.10 −7.92 59.77 15.00  21 GLN CG −20.08 −6.82 59.31 15.00  21 GLN CD −21.21 −7.35 58.42 15.00  21 GLN OE1 −20.98 −7.83 57.31 15.00  21 GLN NE2 −22.44 −7.28 58.92 15.00  21 GLN C −18.81 −10.21 60.83 15.00  21 GLN O −17.67 −9.87 61.14 15.00  22 CYS N −19.29 −11.45 61.00 15.00  22 CYS CA −18.53 −12.54 61.60 15.00  22 CYS C −19.20 −13.84 61.19 15.00  22 CYS O −20.43 −13.93 61.23 15.00  22 CYS CB −18.48 −12.40 63.13 15.00  22 CYS SG −18.13 −13.92 64.07 15.00  23 GLY N −18.42 −14.83 60.76 15.00  23 GLY CA −19.01 −16.09 60.33 15.00  23 GLY C −19.33 −17.04 61.47 15.00  23 GLY O −18.80 −18.16 61.54 15.00  24 SER N −20.21 −16.60 62.36 15.00  24 SER CA −20.58 −17.40 63.52 15.00  24 SER CB −20.34 −16.63 64.80 15.00  24 SER OG −21.04 −15.40 64.76 15.00  24 SER C −22.00 −17.93 63.45 15.00  24 SER O −22.68 −18.02 64.46 15.00  25 CYS N −22.46 −18.32 62.28 15.00  25 CYS CA −23.80 −18.84 62.17 15.00  25 CYS CB −24.25 −18.85 60.71 15.00  25 CYS SG −23.19 −19.72 59.59 15.00  25 CYS C −23.89 −20.22 62.84 15.00  25 CYS O −24.95 −2O.62 63.34 15.00  25 INH C1 −26.58 −9.77 58.47 15.00  25 INH C2 −26.25 −10.40 57.28 15.00  25 INH C3 −25.06 −11.13 57.18 15.00  25 INH C4 −24.20 −11.22 58.27 15.00  25 INH C5 −24.54 −10.58 59.46 15.00  25 INH C6 −25.72 −9.86 59.56 15.00  25 INH C7 −22.95 −12.04 58.18 15.00  25 INH O8 −22.93 −12.74 56.96 15.00  25 INH C9 −23.31 −14.09 56.78 15.00  25 INH O10 −24.36 −14.56 57.24 15.00  25 INH C11 −22.67 −16.23 55.81 15.00  25 INH C12 −22.36 −16.56 54.34 15.00  25 INH C13 −23.44 −17.20 53.45 15.00  25 INH C14 −24.11 −18.35 54.17 15.00  25 INH C15 −24.46 −16.19 52.94 15.00  25 INH C16 −21.76 −17.01 56.78 15.00  25 INH O17 −20.87 −16.42 57.43 15.00  25 INH N18 −21.99 −18.32 56.91 15.00  25 INH C19 −21.15 −18.98 57.84 15.00  25 INH N20 −22.45 −14.81 56.08 15.00  25 INH C21 −20.81 −20.41 57.54 15.00  25 INH C22 −21.63 −18.99 59.30 15.00  25 INH O23 −21.62 −17.88 59.81 15.00  25 INH C24 −17.90 −23.12 57.09 15.00  25 INH C25 −20.20 −23.31 57.89 15.00  25 INH C26 −21.15 −24.49 58.06 15.00  25 INH C27 −21.28 −25.45 56.87 15.00  25 INH C28 −19.93 −25.80 56.26 15.00  25 INH C29 −22.00 −26.71 57.30 15.00  25 INH C30 −20.37 −22.34 59.06 15.00  25 INH O31 −20.24 −22.76 60.20 15.00  25 INH N32 −20.66 −21.04 58.80 15.00  25 INH C33 −20.82 −20.11 59.89 15.00  25 INH N34 −18.81 −23.74 57.85 15.00  26 TRP N −22.76 −20.93 62.89 15.00  26 TRP CA −22.67 −22.24 63.53 15.00  26 TRP CB −21.35 −22.95 63.19 15.00  26 TRP CG −20.14 −22.22 63.67 15.00  26 TRP CD2 −19.45 −22.41 64.92 15.00  26 TRP CE2 −18.44 −21.43 65.00 15.00  26 TRP CE3 −19.61 −23.30 65.99 15.00  26 TRP CD1 −19.51 −21.18 63.05 15.00  26 TRP NE1 −18.50 −20.70 63.84 15.00  26 TRP CZ2 −17.59 −21.32 66.10 15.00  26 TRP CZ3 −18.76 −23.19 67.08 15.00  26 TRP CH2 −17.76 −22.21 67.13 15.00  26 TRP C −22.83 −22.09 65.05 15.00  26 TRP O −23.50 −22.90 65.69 15.00  27 ALA N −22.22 −21.05 65.60 15.00  27 ALA CA −22.28 −20.76 67.03 15.00  27 ALA CB −21.34 −19.64 67.37 15.00  27 ALA C −23.71 −20.40 67.41 15.00  27 ALA O −24.15 −20.67 68.53 15.00  28 PHE N −24.44 −19.79 66.48 15.00  28 PHE CA −25.83 −19.42 66.72 15.00  28 PHE CB −26.28 −18.29 65.81 15.00  28 PHE CG −25.77 −16.95 66.24 15.00  28 PHE CD1 −24.53 −16.50 65.83 15.00  28 PHE CD2 −26.52 −16.16 67.11 15.00  28 PHE CE1 −24.03 −15.31 66.28 15.00  28 PHE CE2 −26.02 −14.96 67.56 15.00  28 PHE CZ −24.78 −14.53 67.15 15.00  28 PHE C −26.76 −20.62 66.63 15.00  28 PHE O −27.71 −20.74 67.40 15.00  29 SER N −26.51 −21.50 65.67 15.00  29 SER CA −27.33 −22.69 65.53 15.00  29 SER CB −26.88 −23.54 64.35 15.00  29 SER OG −27.59 −24.76 64.31 15.00  29 SER C −27.22 −23.49 66.82 15.00  29 SER O −28.20 −23.61 67.54 15.00  30 SER N −26.01 −23.95 67.12 15.00  30 SER CA −25.70 −24.75 68.32 15.00  30 SER CB −24.19 −24.86 68.50 15.00  30 SER OG −23.53 −25.04 67.27 15.00  30 SER C −26.34 −24.24 69.61 15.00  30 SER O −26.97 −25.00 70.37 15.00  31 VAL N −26.15 −22.96 69.88 15.00  31 VAL CA −26.71 −22.32 71.06 15.00  31 VAL CB −26.23 −20.85 71.13 15.00  31 VAL CG1 −27.15 −20.01 71.98 15.00  31 VAL CG2 −24.83 −20.81 71.69 15.00  31 VAL C −28.23 −22.44 71.03 15.00  31 VAL O −28.86 −22.74 72.04 15.00  32 GLY N −28.82 −22.26 69.85 15.00  32 GLY CA −30.26 −22.36 69.72 15.00  32 GLY C −30.78 −23.75 70.03 15.00  32 GLY O −31.86 −23.89 70.62 15.00  33 ALA N −30.07 −24.78 69.61 15.00  33 ALA CA −30.50 −26.14 69.90 15.00  33 ALA CB −29.65 −27.14 69.16 15.00  33 ALA C −30.37 −26.36 71.40 15.00  33 ALA O −31.29 −26.85 72.05 15.00  34 LEU N −29.24 −25.92 71.96 15.00  34 LEU CA −28.96 −26.04 73.40 15.00  34 LEU CB −27.57 −25.50 73.75 15.00  34 LEU CG −26.28 −26.23 73.40 15.00  34 LEU CD1 −25.11 −25.32 73.73 15.00  34 LEU CD2 −26.17 −27.53 74.19 15.00  34 LEU C −30.00 −25.35 74.28 15.00  34 LEU O −30.28 −25.81 75.38 15.00  35 GLU N −30.49 −24.21 73.82 15.00  35 GLU CA −31.50 −23.44 74.55 15.00  35 GLU CB −31.65 −22.02 74.01 15.00  35 GLU CG −30.41 −21.16 74.08 15.00  35 GLU CD −30.48 −19.98 73.14 15.00  35 GLU OE1 −31.23 −20.04 72.14 15.00  35 GLU OE2 −29.79 −18.98 73.39 15.00  35 GLU C −32.84 −24.14 74.47 15.00  35 GLU O −33.60 −24.12 75.44 15.00  36 GLY N −33.13 −24.71 73.31 15.00  36 GLY CA −34.38 −25.43 73.12 15.00  36 GLY C −34.45 −26.58 74.11 15.00  36 GLY O −35.47 −26.75 74.79 15.00  37 GLN N −33.35 −27.32 74.22 15.00  37 GLN CA −33.25 −28.43 75.15 15.00  37 GLN CB −32.05 −29.31 74.83 15.00  37 GLN CG −32.27 −30.21 73.64 15.00  37 GLN CD −33.50 −31.08 73.81 15.00  37 GLN OE1 −33.74 −31.63 74.88 15.00  37 GLN NE2 −34.28 −31.20 72.75 15.00  37 GLN C −33.22 −27.96 76.60 15.00  37 GLN O −33.78 −28.61 77.48 15.00  38 LEU N −32.60 −26.81 76.84 15.00  38 LEU CA −32.52 −26.23 78.19 15.00  38 LEU CB −31.72 −24.94 78.20 15.00  38 LEU CG −31.57 −24.25 79.55 15.00  38 LEU CD1 −30.61 −25.04 80.42 15.00  38 LEU CD2 −31.08 −22.82 79.38 15.00  38 LEU C −33.94 −26.00 78.70 15.00  38 LEU O −34.27 −26.33 79.83 15.00  39 LYS N −34.78 −25.42 77.86 15.00  39 LYS CA −36.17 −25.16 78.19 15.00  39 LYS CB −36.85 −24.36 77.08 15.00  39 LYS CG −38.38 −24.43 77.06 15.00  39 LYS CD −39.03 −23.68 78.21 15.00  39 LYS CE −40.52 −23.93 78.24 15.00  39 LYS NZ −41.17 −23.27 79.40 15.00  39 LYS C −36.89 −26.48 78.42 15.00  39 LYS O −37.73 −26.59 79.30 15.00  40 LYS N −36.56 −27.49 77.63 15.00  40 LYS CA −37.20 −28.78 77.78 15.00  40 LYS CB −36.83 −29.73 76.64 15.00  40 LYS CG −37.74 −30.93 76.59 15.00  40 LYS CD −37.39 −31.91 75.51 15.00  40 LYS CE −38.47 −32.98 75.42 15.00  40 LYS NZ −38.17 −34.02 74.40 15.00  40 LYS C −36.89 −29.42 79.13 15.00  40 LYS O −37.79 −29.93 79.80 15.00  41 LYS N −35.62 −29.36 79.53 15.00  41 LYS CA −35.17 −29.95 80.79 15.00  41 LYS CB −33.65 −30.16 80.81 15.00  41 LYS CG −33.08 −30.87 79.59 15.00  41 LYS CD −33.91 −32.09 79.21 15.00  41 LYS CE −33.34 −32.77 77.99 15.00  41 LYS NZ −34.29 −33.81 77.44 15.00  41 LYS C −35.59 −29.16 82.02 15.00  41 LYS O −36.42 −29.61 82.81 15.00  42 THR N −35.01 −27.98 82.17 15.00  42 THR CA −35.26 −27.11 83.32 15.00  42 THR CB −34.10 −26.13 83.49 15.00  42 THR OG1 −34.11 −25.20 82.40 15.00  42 THR CG2 −32.77 −26.87 83.51 15.00  42 THR C −36.58 −26.34 83.35 15.00  42 THR O −36.92 −25.75 84.37 15.00  43 GLY N −37.30 −26.30 82.24 15.00  43 GLY CA −38.56 −25.58 82.19 15.00  43 GLY C −38.44 −24.08 82.03 15.00  43 GLY O −39.45 −23.39 81.86 15.00  44 LYS N −37.22 −23.56 82.10 15.00  44 LYS CA −36.96 −22.13 81.97 15.00  44 LYS CB −36.42 −21.56 83.28 15.00  44 LYS CG −37.47 −21.47 84.38 15.00  44 LYS CD −36.85 −21.18 85.72 15.00  44 LYS CE −36.08 −22.36 86.23 15.00  44 LYS NZ −37.00 −23.52 86.37 15.00  44 LYS C −35.99 −21.90 80.82 15.00  44 LYS O −35.12 −22.73 80.57 15.00  45 LEU N −36.16 −20.79 80.10 15.00  45 LEU CA −35.31 −20.46 78.95 15.00  45 LEU CB −36.19 −20.14 77.73 15.00  45 LEU CG −35.60 −19.92 76.34 15.00  45 LEU CD1 −35.30 −21.23 75.64 15.00  45 LEU CD2 −36.62 −19.13 75.55 15.00  45 LEU C −34.32 −19.32 79.23 15.00  45 LEU O −34.65 −18.34 79.89 15.00  46 LEU N −33.11 −19.46 78.68 15.00  46 LEU CA −32.02 −18.47 78.83 15.00  46 LEU CB −30.97 −18.94 79.82 15.00  46 LEU CG −30.95 −18.53 81.29 15.00  46 LEU CD1 −29.80 −19.23 81.98 15.00  46 LEU CD2 −30.80 −17.02 81.38 15.00  46 LEU C −31.33 −18.24 77.48 15.00  46 LEU O −31.36 −19.10 76.62 15.00  47 ASN N −30.68 −17.09 77.32 15.00  47 ASN CA −29.95 −16.81 76.10 15.00  47 ASN CB −29.88 −15.32 75.78 15.00  47 ASN CG −31.23 −14.72 75.46 15.00  47 ASN OD1 −31.79 −13.96 76.25 15.00  47 ASN ND2 −31.74 −15.03 74.28 15.00  47 ASN C −28.56 −17.33 76.35 15.00  47 ASN O −27.87 −16.81 77.23 15.00  48 LEU N −28.16 −18.41 75.67 15.00  48 LEU CA −26.81 −18.95 75.85 15.00  48 LEU CB −26.75 −20.44 75.51 15.00  48 LEU CG −27.61 −21.41 76.33 15.00  48 LEU CD1 −27.10 −22.82 76.11 15.00  48 LEU CD2 −27.55 −21.06 77.80 15.00  48 LEU C −25.82 −18.14 75.02 15.00  48 LEU O −26.22 −17.32 74.19 15.00  49 SER N −24.53 −18.38 75.23 15.00  49 SER CA −23.48 −17.62 74.55 15.00  49 SER CB −22.43 −17.16 75.56 15.00  49 SER OG −21.36 −16.51 74.91 15.00  49 SER C −22.77 −18.19 73.33 15.00  49 SER O −21.87 −19.03 73.46 15.00  50 PRO N −23.11 −17.69 72.12 15.00  50 PRO CD −24.26 −16.83 71.79 15.00  50 PRO CA −22.46 −18.17 70.90 15.00  50 PRO CB −23.32 −17.56 69.80 15.00  50 PRO CG −23.89 −16.34 70.43 15.00  50 PRO C −21.01 −17.66 70.85 15.00  50 PRO O −20.16 −18.22 70.16 15.00  51 GLN N −20.74 −16.59 71.61 15.00  51 GLN CA −19.41 −15.98 71.71 15.00  51 GLN CB −19.50 −14.57 72.29 15.00  51 GLN CG −18.18 −13.80 72.34 15.00  51 GLN CD −17.66 −13.43 70.96 15.00  51 GLN OE1 −18.33 −12.73 70.19 15.00  51 GLN NE2 −16.45 −13.88 70.65 15.00  51 GLN C −18.50 −16.86 72.56 15.00  51 GLN O −17.27 −16.82 72.42 15.00  52 ASN N −19.11 −17.64 73.44 15.00  52 ASN CA −18.38 −18.58 74.30 15.00  52 ASN CB −19.35 −19.26 75.26 15.00  52 ASN CG −18.67 −20.14 76.30 15.00  52 ASN OD1 −18.91 −19.99 77.51 15.00  52 ASN ND2 −17.88 −21.11 75.85 15.00  52 ASN C −17.74 −19.57 73.32 15.00  52 ASN O −16.55 −19.90 73.41 15.00  53 LEU N −18.55 −20.00 72.36 15.00  53 LEU CA −18.11 −20.96 71.35 15.00  53 LEU CB −19.32 −21.52 70.61 15.00  53 LEU CG −20.38 −22.09 71.55 15.00  53 LEU CD1 −21.65 −22.44 70.79 15.00  53 LEU CD2 −19.83 −23.30 72.25 15.00  53 LEU C −17.06 −20.37 70.39 15.00  53 LEU O −15.94 −20.89 70.28 15.00  54 VAL N −17.43 −19.27 69.73 15.00  54 VAL CA −16.55 −18.58 68.78 15.00  54 VAL CB −17.06 −17.14 68.52 15.00  54 VAL CG1 −16.12 −16.40 67.60 15.00  54 VAL CG2 −18.46 −17.18 67.91 15.00  54 VAL C −15.12 −18.49 69.29 15.00  54 VAL O −14.16 −18.6S 68.55 15.00  55 ASP N −15.00 −18.21 70.58 15.00  55 ASP CA −13.71 −18.08 71.23 15.00  55 ASP CB −13.82 −17.19 72.49 15.00  55 ASP CG −14.16 −15.76 72.16 15.00  55 ASP OD1 −13.98 −15.35 71.00 15.00  55 ASP OD2 −14.62 −15.03 73.06 15.00  55 ASP C −13.05 −19.41 71.60 15.00  55 ASP O −11.98 −19.76 71.08 15.00  56 CYS N −13.74 −20.18 72.43 15.00  56 CYS CA −13.21 −21.42 72.96 15.00  56 CYS C −13.19 −22.70 72.14 15.00  56 CYS O −12.40 −23.59 72.45 15.00  56 CYS CB −13.84 −21.68 74.32 15.00  56 CYS SG −14.09 −20.14 75.26 15.00  57 VAL N −14.06 −22.83 71.15 15.00  57 VAL CA −14.11 −24.04 70.33 15.00  57 VAL CB −15.47 −24.21 69.61 15.00  57 VAL CG1 −15.58 −25.61 69.01 15.00  57 VAL CG2 −16.61 −23.97 70.58 15.00  57 VAL C −12.98 −24.06 69.30 15.00  57 VAL O −13.18 −23.78 68.12 15.00  58 SER N −11.80 −24.45 69.76 15.00  58 SER CA −10.60 −24.55 68.94 15.00  58 SER CB −9.45 −25.07 69.79 15.00  58 SER OG −9.53 −24.53 71.10 15.00  58 SER C −10.73 −25.37 67.67 15.00  58 SER O −9.99 −25.17 66.72 15.00  59 GLU N −11.61 −26.36 67.70 15.00  59 GLU CA −11.83 −27.23 66.55 15.00  59 GLU CB −12.73 −28.41 66.92 15.00  59 GLU CG −12.20 −29.30 68.03 15.00  59 GLU CD −12.38 −28.71 69.41 15.00  59 GLU OE1 −13.54 −28.51 69.82 15.00  59 GLU OE2 −11.37 −28.43 70.06 15.00  59 GLU C −12.41 −26.48 65.37 15.00  59 GLU O −12.37 −26.95 64.23 15.00  60 ASN N −13.03 −25.34 65.65 15.00  60 ASN CA −13.65 −24.52 64.62 15.00  60 ASN CB −15.10 −24.18 64.99 15.00  60 ASN CG −16.04 −25.37 64.87 15.00  60 ASN OD1 −17.24 −25.24 65.03 15.00  60 ASN ND2 −15.49 −26.53 64.55 15.00  60 ASN C −12.83 −23.26 64.38 15.00  60 ASN O −11.82 −23.03 65.05 15.00  61 ASP N −13.28 −22.43 63.44 15.00  61 ASP CA −12.56 −21.22 63.09 15.00  61 ASP CB −12.53 −21.05 61.57 15.00  61 ASP CG −11.12 −20.82 61.03 15.00  61 ASP OD1 −10.18 −20.65 61.83 15.00  61 ASP OD2 −10.96 −20.82 59.79 15.00  61 ASP C −13.09 −19.95 63.76 15.00  61 ASP O −12.67 −18.85 63.43 15.00  62 GLY N −14.00 −20.09 64.72 15.00  62 GLY CA −14.55 −18.91 65.36 15.00  62 GLY C −15.40 −18.19 64.33 15.00  62 GLY O −16.39 −18.75 63.85 15.00  63 CYS N −14.98 −16.99 63.94 15.00  63 CYS CA −15.70 −16.19 62.94 15.00  63 CYS C −15.40 −16.66 61.53 15.00  63 CYS O −15.88 −16.07 60.57 15.00  63 CYS CB −15.39 −14.70 63.02 15.00  63 CYS SG −16.14 −13.86 64.44 15.00  64 GLY N −14.57 −17.68 61.40 1s.00  64 GLY CA −14.26 −18.20 60.08 15.00  64 GLY C −15.21 −19.31 59.69 15.00  64 GLY O −15.23 −19.74 58.53 15.00  65 GLY N −15.99 −19.80 60.65 15.00  65 GLY CA −16.93 −20.87 60.37 15.00  65 GLY C −16.62 −22.14 61.14 15.00  65 GLY O −15.48 −22.38 61.54 15.00  66 GLY N −17.64 −22.95 61.35 15.00  66 GLY CA −17.45 −24.19 62.08 15.00  66 GLY C −18.56 −25.20 61.92 15.00  66 GLY O −19.38 −25.12 61.00 15.00  67 TYR N −18.56 −26.18 62.81 15.00  67 TYR CA −19.55 −27.25 62.80 15.00  67 TYR CB −18.89 −28.59 62.62 15.00  67 TYR CG −18.09 −28.77 61.37 15.00  67 TYR CD1 −18.68 −28.65 60.11 15.00  67 TYR CE1 −17.97 −28.95 58.95 15.00  67 TYR CD2 −16.77 −29.18 61.44 15.00  67 TYR CE2 −16.05 −29.48 60.30 15.00  67 TYR CZ −16.65 −29.37 59.06 15.00  67 TYR OH −15.93 −29.71 57.94 15.00  67 TYR C −20.31 −27.25 64.11 15.00  67 TYR O −19.73 −26.97 65.15 15.00  68 MET N −21.60 −27.57 64.06 15.00  68 MET CA −22.40 −27.64 65.27 15.00  68 MET CB −23.88 −27.79 64.94 15.00  68 MET CG −24.47 −26.62 64.20 15.00  68 MET SD −23.93 −26.55 62.51 15.00  68 MET CE −25.32 −27.25 61.69 15.00  68 MET C −21.91 −28.78 66.17 15.00  68 MET O −21.81 −28.64 67.39 15.00  69 THR N −21.56 −29.90 65.54 15.00  69 THR CA −21.07 −31.07 66.27 15.00  69 THR CB −20.66 −32.20 65.31 15.00  69 THR OG1 −19.57 −31.77 64.48 15.00  69 THR CG2 −21.84 −32.58 64.45 15.00  69 THR C −19.91 −30.70 67.18 15.00  69 THR O −19.94 −31.00 68.37 15.00  70 ASN N −18.92 −30.00 66.64 15.00  70 ASN CA −17.77 −29.54 67.42 15.00  70 ASN CB −16.75 −28.84 66.55 15.00  70 ASN CG −15.86 −29.80 65.85 15.00  70 ASN OD1 −15.33 −30.72 66.46 15.00  70 ASN ND2 −15.68 −29.61 64.55 15.00  70 ASN C −18.17 −28.63 68.60 15.00  70 ASN O −17.53 −28. 66 69.66 15.00  71 ALA N −19.20 −27.82 68.40 15.00  71 ALA CA −19.67 −26.91 69.44 15.00  71 ALA CB −20.66 −25.91 68.86 15.00  71 ALA C −20.33 −27.72 70.55 15.00  71 ALA O −20.26 −27.37 71.72 15.00  72 PHE N −20.96 −28.83 70.16 15.00  72 PHE CA −21.61 −29.70 71.13 15.00  72 PHE CB −22.57 −30.66 70.43 15.00  72 PHE CG −23.73 −29.98 69.79 15.00  72 PHE CD1 −24.28 −28.84 70.36 15.00  72 PHE CD2 −24.29 −30.48 68.63 15.00  72 PHE CE1 −25.35 −28.21 69.79 15.00  72 PHE CE2 −25.37 −29.87 68.04 15.00  72 PHE CZ −25.91 −28.72 68.62 15.00  72 PHE C −20.59 −30.46 71.96 15.00  72 PHE O −20.79 −30.69 73.15 15.00  73 GLN N −19.48 −30.82 71.33 15.00  73 GLN CA −18.43 −31.54 72.03 15.00  73 GLN CB −17.46 −32.17 71.04 15.00  73 GLN CG −16.71 −33.36 71.59 15.00  73 GLN CD −16.83 −34.56 70.67 15.00  73 GLN OE1 −17.35 −35.61 71.07 15.00  73 GLN NE2 −16.37 −34.41 69.44 15.00  73 GLN C −17.70 −30.62 72.99 15.00  73 GLN O −17.18 −31.07 74.02 15.00  74 TYR N −17.64 −29.34 72.65 15.00  74 TYR CA −16.96 −28.38 73.52 15.00  74 TYR CB −16.74 −27.03 72.81 15.00  74 TYR CG −16.38 −25.93 73.78 15.00  74 TYR CD1 −15.16 −25.95 74.45 15.00  74 TYR CE1 −14.87 −25.02 75.40 15.00  74 TYR CD2 −17.30 −24.94 74.11 15.00  74 TYR CE2 −17.01 −24.00 75.07 15.00  74 TYR CZ −15.79 −24.05 75.71 15.00  74 TYR OH −15.47 −23.11 76.67 15.00  74 TYR C −17.69 −28.17 74.84 15.00  74 TYR O −17.07 −28.14 75.89 15.00  75 VAL N −19.00 −27.98 74.77 15.00  75 VAL CA −19.82 −27.78 75.97 15.00  75 VAL CB −21.29 −27.47 75.58 15.00  75 VAL CG1 −22.13 −27.23 76.82 15.00  75 VAL CG2 −21.34 −26.25 74.67 15.00  75 VAL C −19.73 −29.01 76.87 15.00  75 VAL O −19.82 −28.91 78.10 15.00  76 GLN N −19.47 −30.16 76.26 15.00  76 GLN CA −19.33 −31.42 76.97 15.00  76 GLN CB −19.57 −32.58 76.01 15.00  76 GLN CG −19.54 −33.95 76.62 15.00  76 GLN CD −19.67 −35.03 75.58 15.00  76 GLN OE1 −20.73 −35.62 75.41 15.00  76 GLN NE2 −18.60 −35.28 74.86 15.00  76 GLN C −17.96 −31.55 77.68 15.00  76 GLN O −17.91 −31.76 78.89 15.00  77 LYS N −16.87 −31.41 76.94 15.00  77 LYS CA −15.53 −31.51 77.53 15.00  77 LYS CB −14.43 −31.56 76.46 15.00  77 LYS CG −14.07 −30.18 75.87 15.00  77 LYS CD −12.80 −30.21 75.01 15.00  77 LYS CE −13.01 −30.90 73.67 15.00  77 LYS NZ −14.16 −30.32 72.90 15.00  77 LYS C −15.26 −30.36 78.49 15.00  77 LYS O −14.45 −30.49 79.41 15.00  78 ASN N −15.89 −29.22 78.22 15.00  78 ASN CA −15.73 −28.04 79.05 15.00  78 ASN CB −16.05 −26.77 78.27 15.00  78 ASN CG −15.64 −25.51 79.00 15.00  78 ASN OD1 −14.49 −25.35 79.40 15.00  78 ASN ND2 −16.57 −24.59 79.14 15.00  78 ASN C −16.64 −28.15 80.26 15.00  78 ASN O −16.46 −27.45 81.25 15.00  79 ARG N −17.63 −29.04 80.16 15.00  79 ARG CA −18.61 −29.26 81.22 15.00  79 ARG CB −17.95 −29.71 82.54 15.00  79 ARG CG −17.19 −31.05 82.52 15.00  79 ARG CD −18.12 −32.28 82.55 15.00  79 ARG NE −18.94 −32.34 83.76 15.00  79 ARG CZ −20.14 −32.92 83.84 15.00  79 ARG NH1 −20.69 −33.51 82.78 15.00  79 ARG NH2 −20.82 −32.88 84.99 15.00  79 ARG C −19.47 −28.02 81.44 15.00  79 ARG O −19.86 −27.74 82.57 15.00  80 GLY N −19.75 −27.27 80.38 15.00  80 GLY CA −20.58 −26.08 80.52 15.00  80 GLY C −20.38 −24.97 79.49 15.00  80 GLY O −19.36 −24.93 78.78 15.00  81 ILE N −21.37 −24.08 79.41 15.00  81 ILE CA −21.35 −22.92 78.50 15.00  81 ILE CB −22.14 −23.20 77.17 15.00  81 ILE CG2 −23.59 −23.57 77.46 15.00  81 ILE CG1 −22.11 −21.97 76.25 15.00  81 ILE CD1 −22.75 −22.19 74.90 15.00  81 ILE C −22.00 −21.76 79.25 15.00  81 ILE O −22.86 −21.98 80.11 15.00  82 ASP N −21.56 −20.54 78.96 15.00  82 ASP CA −22.09 −19.34 79.61 15.00  82 ASP CB −21.08 −18.20 79.59 15.00  82 ASP CG −19.89 −18.44 80.48 15.00  82 ASP OD1 −18.82 −17.87 80.21 15.00  82 ASP OD2 −20.03 −19.18 81.47 15.00  82 ASP C −23.40 −18.85 79.02 15.00  82 ASP O −23.89 −19.36 78.02 15.00  83 SER N −23.96 −17.84 79.68 15.00  83 SER CA −25.19 −17.20 79.27 15.00  83 SER CB −26.03 −16.83 80.49 15.00  83 SER OG −25.19 −16.35 81.52 15.00  83 SER C −24.76 −15.96 78.49 15.00  83 SER O −23.59 −15.58 78.53 15.00  84 GLU N −25.68 −15.29 77.81 15.00  84 GLU CA −25.29 −14.13 77.03 15.00  84 GLU CB −26.39 −13.59 76.13 15.00  84 GLU CG −25.83 −12.69 75.03 15.00  84 GLU CD −24.85 −13.42 74.11 1500  84 GLU OE1 −25.26 −13.79 72.99 15.00  84 GLU OE2 −23.68 −13.64 74.49 15.00  84 GLU C −24.73 −13.05 77.92 15.00  84 GLU O −23.52 −12.84 77.90 15.00  85 ASP N −25.56 −12.36 78.69 15.00  85 ASP CA −25.00 −11.32 79.55 15.00  85 ASP CB −26.06 −10.32 80.06 15.00  85 ASP CG −25.45 −8.93 80.42 15.00  85 ASP OD1 −26.14 −8.14 81.10 15.00  85 ASP OD2 −24.30 −8.62 80.02 15.00  85 ASP C −24.32 −12.06 80.68 15.00  85 ASP O −24.91 −12.29 81.73 15.00  86 ALA N −23.11 −12.51 80.37 15.00  86 ALA CA −22.20 −13.27 81.22 15.00  86 ALA CB −22.80 −14.62 81.60 15.00  86 ALA C −20.96 −13.46 80.33 15.00  86 ALA O −19.83 −13.52 80.81 15.00  87 TYR N −21.21 −13.59 79.03 15.00  87 TYR CA −20.18 −13.73 78.00 15.00  87 TYR CB −19.74 −15.19 77.86 15.00  87 TYR CG −18.39 −15.40 77.19 15.00  87 TYR CD1 −17.78 −14.38 76.45 15.00  87 TYR CE1 −16.54 −14.59 75.84 15.00  87 TYR CD2 −17.73 −16.61 77.31 15.00  87 TYR CE2 −16.49 −16.82 76.72 15.00  87 TYR CZ −15.90 −15.80 75.98 15.00  87 TYR OH −14.67 −15.99 75.42 15.00  87 TYR C −20.88 −13.21 76.73 15.00  87 TYR O −21.25 −13.98 75.86 15.00  88 PRO N −21.07 −11.89 76.64 15.00  88 PRO CD −20.61 −10.92 77.65 15.00  88 PRO CA −21.72 −11.18 75.54 15.00  88 PRO CB −21.69 −9.73 76.00 15.00  88 PRO CG −21.61 −9.83 77.49 15.00  88 PRO C −21.11 −11.32 74.15 15.00  88 PRO O −19.90 −11.51 74.00 15.00  89 TYR N −21.95 −11.12 73.14 15.00  89 TYR CA −21.55 −11.21 71.74 15.00  89 TYR CB −22.75 −11.61 70.87 15.00  89 TYR CG −22.36 −12.04 69.48 15.00  89 TYR CD1 −21.49 −13.11 69.29 15.00  89 TYR CE1 −21.07 −13.47 68.02 15.00  89 TYR CD2 −22.82 −11.36 68.36 15.00  89 TYR CE2 −22.41 −11.72 67.10 15.00  89 TYR CZ −21.53 −12.77 66.94 15.00  89 TYR OH −21.09 −13.11 65.69 15.00  89 TYR C −20.90 −9.91 71.24 15.00  89 TYR O −21.59 −8.91 71.03 15.00  90 VAL N −19.58 −9.92 71.08 15.00  90 VAL CA −18.87 −8.73 70.61 15.00  90 VAL CB −17.41 −8.68 71.09 15.00  90 VAL CG1 −17.35 −8.79 72.60 15.00  90 VAL CG2 −16.59 −9.77 70.43 15.00  90 VAL c −18.89 −8.68 69.08 15.00  90 VAL O −18.82 −7.61 68.49 15.00  91 GLY N −18.98 −9.84 68.45 15.00  91 GLY CA −19.04 −9.87 67.01 15.00  91 GLY C −17.71 −10.16 66.36 15.00  91 GLY O −17.56 −9.93 65.16 15.00  92 GLN N −16.76 −10.69 67.13 15.00  92 GLN CA −15.43 −11.01 66.62 15.00  92 GLN CB −14.62 −9.75 66.38 15.00  92 GLN CG −14.24 −9.09 67.68 15.00  92 GLN CD −13.83 −7.66 67.52 15.00  92 GLN OE1 −12.91 −7.19 68.19 15.00  92 GLN NE2 −14.53 −6.93 66.64 15.00  92 GLN C −14.67 −11.92 67.58 15.00  92 GLN O −14.91 −11.91 68.79 15.00  93 GLU N −13.72 −12.66 67.02 15.00  93 GLU CA −12.89 −13.59 67.78 15.00  93 GLU CB −11.95 −14.35 66.85 15.00  93 GLU CG −12.64 −15.06 65.69 15.00  93 GLU CD −11.68 −15.45 64.57 15.00  93 GLU OE1 −10.56 −15.94 64.87 15.00  93 GLU OE2 −12.03 −15.24 63.39 15.00  93 GLU C −12.11 −12.86 68.86 15.00  93 GLU O −11.54 −11.79 68.61 15.00  94 GLU N −12.08 −13.46 70.05 15.00  94 GLU CA −11.38 −12.93 71.22 15.00  94 GLU CB −12.31 −12.19 72.16 15.00  94 GLU CG −12.77 −10.82 71.71 15.00  94 GLU CD −13.69 −10.18 72.74 15.00  94 GLU OE1 −13.59 −8.95 72.97 15.00  94 GLU OE2 −14.50 −10.92 73.33 15.00  94 GLU C −10.77 −14.12 71.96 15.00  94 GLU O −11.15 −15.26 71.71 15.00  95 SER N −9.87 −13.85 72.90 15.00  95 SER CA −9.24 −14.91 73.69 15.00  95 SER CB −8.09 −14.36 74.52 15.00  95 SER OG −8.52 −13.24 75.28 15.00  95 SER C −10.32 −15.52 74.59 15.00  95 SER O −11.03 −14.78 75.28 15.00  96 CYS N −10.42 −16.84 74.58 15.00  96 CYS CA −11.43 −17.54 75.38 15.00  96 CYS C −11.55 −17.08 76.82 15.00  96 CYS O −10.69 −17.37 77.66 15.00  96 CYS CB −11.24 −19.06 75.31 15.00  96 CYS SG −12.40 −19.98 76.37 15.00  97 MET N −12.60 −16.32 77.10 15.00  97 MET CA −12.86 −15.80 78.44 15.00  97 MET CB −13.16 −14.29 78.41 15.00  97 MET CG −11.97 −13.37 78.13 15.00  97 MET SD −12.05 −12.55 76.50 15.00  97 MET CE −13.66 −11.72 76.66 15.00  97 MET C −13.99 −16.57 79.13 15.00  97 MET O −14.93 −15.96 79.66 15.00  98 TYR N −13.91 −17.90 79.15 15.00  98 TYR CA −14.96 −18.68 79.80 15.00  98 TYR CB −14.79 −20.17 79.54 15.00  98 TYR CG −15.85 −21.01 80.24 15.00  98 TYR CD1 −17.20 −20.84 79.95 15.00  98 TYR CE1 −18.17 −21.59 80.59 15.00  98 TYR CD2 −15.50 −21.96 81.19 15.00  98 TYR CE2 −16.48 −22.73 81.83 15.00  98 TYR CZ −17.80 −22.53 81.53 15.00  98 TYR OH −18.77 −23.27 82.16 15.00  98 TYR C −15.11 −18.42 81.29 15.00  98 TYR O −14.28 −18.80 82.11 15.00  99 ASN N −16.21 −17.74 81.62 15.00  99 ASN CA −16.59 −17.38 82.98 15.00  99 ASN CB −17.52 −16.16 82.93 15.00  99 ASN CG −17.93 −15.66 84.29 15.00  99 ASN OD1 −17.61 −16.27 85.32 15.00  99 ASN ND2 −18.65 −14.53 84.32 15.00  99 ASN C −17.30 −18.62 83.57 15.00  99 ASN O −18.50 −18.81 83.35 15.00 100 PRO N −16.59 −19.46 84.35 15.00 100 PRO CD −15.20 −19.31 84.81 15.00 100 PRO CA −17.20 −20.67 84.94 15.00 100 PRO CB −16.06 −21.26 85.77 15.00 100 PRO CG −14.82 −20.73 85.09 15.00 100 PRO C −18.40 −20.36 85.82 15.00 100 PRO O −19.33 −21.16 85.93 15.00 101 THR N −18.37 −19.19 86.44 15.00 101 THR CA −19.44 −18.75 87.32 15.00 101 THR CB −19.06 −17.44 88.03 15.00 101 THR OG1 −17.64 −17.23 87.93 15.00 101 THR CG2 −19.46 −17.51 89.50 15.00 101 THR C −20.74 −18.53 86.56 15.00 101 THR O −21.82 −18.83 87.07 15.00 102 GLY N −20.64 −18.01 85.35 15.00 102 GLY CA −21.85 −17.75 84.58 15.00 102 GLY C −22.38 −18.91 83.77 15.00 102 GLY O −23.27 −18.70 82.94 15.00 103 LYS N −21.85 −20.12 83.98 15.00 103 LYS CA −22.32 −21.28 83.21 15.00 103 LYS CB −21.62 −22.56 83.63 15.00 103 LYS CG −22.20 −23.22 84.86 15.00 103 LYS CD −21.67 −24.63 85.01 15.00 103 LYS CE −22.02 −25.45 83.79 15.00 103 LYS NZ −23.49 −25.45 83.60 15.00 103 LYS C −23.83 −21.40 83.35 15.00 103 LYS O −24.37 −21.25 84.45 15.00 104 ALA N −24.51 −21.65 82.24 15.00 104 ALA CA −25.96 −21.74 82.28 15.00 104 ALA CB −26.57 −20.48 81.67 15.00 104 ALA C −26.55 −22.97 81.62 15.00 104 ALA O −27.76 −23.22 81.72 15.00 105 ALA N −25.70 −23.76 80.97 15.00 105 ALA CA −26.17 −24.96 80.31 15.00 105 ALA CB −26.66 −24.65 78.91 15.00 105 ALA C −25.10 −26.02 80.24 15.00 105 ALA O −23.91 −25.72 80.09 15.00 106 LYS N −25.53 −27.26 80.40 15.00 106 LYS CA −24.65 −28.41 80.36 15.00 106 LYS CB −24.77 −29.23 81.64 15.00 106 LYS CG −24.05 −28.65 82.83 15.00 106 LYS CD −22.56 −28.96 82.80 15.00 106 LYS CE −22.28 −30.46 82.89 15.00 106 LYS NZ −22.56 −31.21 81.62 15.00 106 LYS C −25.08 −29.23 79.17 15.00 106 LYS O −26.18 −29.04 78.65 15.00 107 CYS N −24.23 −30.15 78.76 15.00 107 CYS CA −24.52 −31.01 77.62 15.00 107 CYS CB −24.00 −30.36 76.33 15.00 107 CYS SG −24.10 −31.36 74.81 15.00 107 CYS C −23.81 −32.31 77.94 15.00 107 CYS O −22.94 −32.34 78.81 15.00 108 ARG N −24.23 −33.40 77.30 15.00 108 ARG CA −23.60 −34.70 77.51 15.00 108 ARG CB −24.27 −35.46 78.66 15.00 108 ARG CG −25.67 −35.93 78.35 15.00 108 ARG CD −26.16 −36.95 79.38 15.00 108 ARG NE −27.36 −37.64 78.90 15.00 108 ARG CZ −27.34 −38.78 78.20 15.00 108 ARG NH1 −26.18 −39.37 77.92 15.00 108 ARG NH2 −28.48 −39.29 77.75 15.00 108 ARG C −23.57 −35.53 76.23 15.00 108 ARG O −23.71 −36.76 76.27 15.00 109 GLY N −23.37 −34.87 75.10 15.00 109 GLY CA −23.30 −35.59 73.85 15.00 109 GLY C −24.02 −34.85 72.75 15.00 109 GLY O −24.50 −33.73 72.95 15.00 110 TYR N −24.10 −35.48 71.59 15.00 110 TYR CA −24.77 −34.92 70.44 15.00 110 TYR CB −23.91 −33.89 69.74 15.00 110 TYR CG −22.68 −34.45 69.05 15.00 110 TYR CD1 −21.45 −34.47 69.70 15.00 110 TYR CE1 −20.31 −34.89 69.04 15.00 110 TYR CD2 −22.74 −34.88 67.73 15.00 110 TYR CE2 −21.61 −35.30 67.07 15.00 110 TYR CZ −20.39 −35.30 67.72 15.00 110 TYR OH −19.24 −35.68 67.05 15.00 110 TYR C −25.16 −36.02 69.48 15.00 110 TYR O −24.41 −36.99 69.31 15.00 111 ARG N −26.32 −35.87 68.86 15.00 111 ARG CA −26.83 −36.84 67.91 15.00 111 ARG CB −28.14 −37.43 68.41 15.00 111 ARG CG −28.01 −38.15 69.74 15.00 111 ARG CD −28.52 −39.57 69.65 15.00 111 ARG NE −27.97 −40.28 68.49 15.00 111 ARG CZ −28.38 −41.48 68.10 15.00 111 ARG NH1 −27.83 −42.06 67.03 15.00 111 ARG NH2 −29.32 −42.12 68.78 15.00 111 ARG C −27.01 −36.25 66.52 15.00 111 ARG O −27.32 −35.07 66.39 15.00 112 GLU N −26.81 −37.06 65.50 15.00 112 GLU CA −26.94 −36.62 64.12 15.00 112 GLU CB −25.68 −36.90 63.30 15.00 112 GLU CG −24.42 −36.10 63.68 15.00 112 GLU CD −23.23 −36.42 62.77 15.00 112 GLU OE1 −22.07 −36.07 63.13 15.00 112 GLU OE2 −23.44 −37.01 61.69 15.00 112 GLU C −28.14 −37.26 63.44 15.00 112 GLU O −28.60 −38.33 63.84 15.00 113 ILE N −28.61 −36.60 62.39 15.00 113 ILE CA −29.74 −37.06 61.60 15.00 113 ILE CB −30.51 −35.84 61.05 15.00 113 ILE CG2 −31.61 −36.25 60.09 15.00 113 ILE CG1 −31.10 −35.06 62.22 15.00 113 ILE CD1 −32.01 −35.89 63.07 15.00 113 ILE C −29.15 −37.84 60.43 15.00 113 ILE O −28.13 −37.44 59.88 15.00 114 PRO N −29.74 −38.99 60.08 15.00 114 PRO CD −30.93 −39.67 60.65 15.00 114 PRO CA −29.19 −39.76 58.95 15.00 114 PRO CB −30.23 −40.86 58.75 15.00 114 PRO CG −30.78 −41.07 60.12 15.00 114 PRO C −29.18 −38.82 57.75 15.00 114 PRO O −30.23 −38.35 57.30 15.00 115 GLU N −27.98 −38.53 57.25 15.00 115 GLU CA −27.81 −37.64 56.11 15.00 115 GLU CB −26.36 −37.71 55.63 15.00 115 GLU CG −26.00 −38.96 54.84 15.00 115 GLU CD −26.11 −38.74 53.34 15.00 11s GLU OE1 −26.79 −39.55 52.65 15.00 115 GLU OE2 −25.52 −37.74 52.85 15.00 11s GLU C −28.81 −37.80 54.96 15.00 115 GLU O −28.93 −38.86 54.37 15.00 116 GLY N −29.54 −36.73 54.67 15.00 116 GLY CA −30.51 −36.71 53.59 15.00 116 GLY C −31.88 −37.25 53.92 15.00 116 GLY O −32.76 −37.31 53.05 15.00 117 ASN N −32.09 −37.61 55.18 15.00 117 ASN CA −33.37 −38.18 55.61 15.00 117 ASN CB −33.13 −39.38 56.52 15.00 117 ASN CG −34.42 −40.02 57.01 15.00 117 ASN OD1 −35.53 −39.60 56.65 15.00 117 ASN ND2 −34.28 −41.06 57.83 15.00 117 ASN C −34.32 −37.19 56.27 15.00 117 ASN O −34.40 −37.10 57.50 15.00 118 GLU N −35.10 −36.50 55.45 15.00 118 GLU CA −36.05 −35.52 55.96 15.00 118 GLU CB −36.81 −34.85 54.83 15.00 118 GLU CG −36.06 −33.74 54.15 15.00 118 GLU CD −36.96 −32.95 53.26 15.00 118 GLU OE1 −37.20 −33.39 52.11 15.00 118 GLU OE2 −37.46 −31.91 53.72 15.00 118 GLU C −37.03 −36.09 56.96 15.00 118 GLU O −37.48 −35.39 57.88 15.00 119 LYS N −37.39 −37.36 56.79 15.00 119 LYS CA −38.33 −37.99 57.71 15.00 119 LYS CB −38.85 −39.30 57.15 15.00 119 LYS CG −40.37 −39.34 57.05 15.00 119 LYS CD −40.95 −38.10 56.34 15.00 119 LYS CE −42.47 −38.10 56.44 15.00 119 LYS NZ −43.07 −36.84 55.99 15.00 119 LYS C −37.71 −38.16 59.09 15.00 119 LYS O −38.36 −37.86 60.09 15.00 120 ALA N −36.45 −38.57 59.15 15.00 120 ALA CA −35.77 −38.75 60.44 15.00 120 ALA CB −34.45 −39.45 60.27 15.00 120 ALA C −35.56 −37.40 61.08 15.00 120 ALA O −35.41 −37.31 62.30 15.00 121 LEU N −35.52 −36.34 60.26 15.00 121 LEU CA −35.37 −34.98 60.78 15.00 121 LEU CB −34.93 −33.98 59.69 15.00 121 LEU CG −34.71 −32.55 60.19 15.00 121 LEU CD1 −33.44 −32.47 61.03 15.00 121 LEU CD2 −34.62 −31.58 59.02 15.00 121 LEU C −36.70 −34.57 61.37 15.00 121 LEU O −36.77 −34.00 62.45 15.00 122 LYS N −37.77 −34.88 60.65 15.00 122 LYS CA −39.12 −34.58 61.09 15.00 122 LYS CB −40.14 −35.16 60.12 15.00 122 LYS CG −41.58 −34.91 60.49 15.00 122 LYS CD −42.51 −35.55 59.48 15.00 122 LYS CE −43.96 −35.15 59.73 15.00 122 LYS NZ −44.83 −35.53 58.58 15.00 122 LYS C −39.29 −35.19 62.48 15.00 122 LYS O −39.68 −34.50 63.42 15.00 123 ARG N −38.95 −36.47 62.59 15.00 123 ARG CA −39.04 −37.19 63.86 15.00 123 ARG CB −38.64 −38.65 63.70 15.00 123 ARG CG −39.66 −39.49 62.94 15.00 123 ARG CD −39.69 −40.93 63.45 15.00 123 ARG NE −38.49 −41.71 63.12 15.00 123 ARG CZ −38.54 −42.87 62.47 15.00 123 ARG NH1 −39.71 −43.37 62.09 15.00 123 ARG NH2 −37.42 −43.54 62.20 15.00 123 ARG C −38.19 −36.51 64.93 15.00 123 ARG O −38.63 −36.34 66.05 15.00 124 ALA N −36.98 −36.12 64.57 15.00 124 ALA CA −36.09 −35.45 65.50 15.00 124 ALA CB −34.77 −35.16 64.86 15.00 124 ALA C −36.70 −34.15 66.00 15.00 124 ALA O −36.77 −33.93 67.21 15.00 125 VAL N −37.14 −33.31 65.08 15.00 125 VAL CA −37.72 −32.03 65.45 15.00 125 VAL CB −38.13 −31.20 64.21 15.00 125 VAL CG1 −38.87 −29.94 64.63 15.00 125 VAL CG2 −36.90 −30.81 63.41 15.00 125 VAL C −38.90 −32.21 66.39 15.00 125 VAL O −39.02 −31.48 67.36 15.00 126 ALA N −39.75 −33.20 66.13 15.00 126 ALA CA −40.92 −33.43 66.99 15.00 126 ALA CB −41.96 −34.25 66.25 15.00 126 ALA C −40.58 −34.09 68.33 15.00 126 ALA O −41.09 −33.68 69.38 15.00 127 ARG N −39.75 −35.12 68.30 15.00 127 ARG CA −39.38 −35.83 69.52 15.00 127 ARG CB −38.82 −37.21 69.20 15.00 127 ARG CG −39.74 −38.08 68.36 15.00 127 ARG CD −39.22 −39.50 68.39 15.00 127 ARG NE −39.68 −40.36 67.30 15.00 127 ARG CZ −40.95 −40.55 66.96 15.00 127 ARG NH1 −41.25 −41.36 65.96 15.00 127 ARG NH2 −41.92 −39.90 67.59 15.00 127 ARG C −38.41 −35.07 70.40 15.00 127 ARG O −38.63 −34.94 71.60 15.00 128 VAL N −37.33 −34.58 69.81 15.00 128 VAL CA −36.30 −33.85 70.54 15.00 128 VAL CB −34.95 −33.96 69.83 15.00 128 VAL CG1 −33.89 −33.20 70.59 15.00 128 VAL CG2 −34.56 −35.42 69.68 15.00 128 VAL C −36.62 −32.39 70.77 15.00 128 VAL O −36.73 −31.94 71.90 15.00 129 GLY N −36.70 −31.64 69.68 15.00 129 GLY CA −36.98 −30.21 69.76 15.00 129 GLY C −36.20 −29.51 68.66 15.00 129 GLY O −35.93 −30.12 67.63 15.00 130 PRO N −35.81 −28.24 68.86 15.00 130 PRO CD −36.15 −27.39 70.00 15.00 130 PRO CA −35.06 −27.48 67.86 15.00 130 PRO CB −34.77 −26.18 68.58 15.00 130 PRO CG −36.00 −26.00 69.41 15.00 130 PRO C −33.78 −28.20 67.49 15.00 130 PRO O −32.98 −28.51 68.37 15.00 131 VAL N −33.60 −28.46 66.19 15.00 131 VAL CA −32.42 −29.16 65.69 15.00 131 VAL CB −32.80 −30.40 64.82 15.00 131 VAL CG1 −31.55 −31.10 64.33 15.00 131 VAL CG2 −33.66 −31.37 65.60 15.00 131 VAL C −31.54 −28.26 64.83 15.00 131 VAL O −32.02 −27.54 63.96 15.00 132 SER N −30.24 −28.35 65.05 15.00 132 SER CA −29.27 −27.55 64.31 15.00 132 SER CB −27.93 −27.54 65.04 15.00 132 SER OG −28.09 −27.80 66.43 15.00 132 SER C −29.11 −28.11 62.90 15.00 132 SER O −28.80 −29.29 62.74 15.00 133 VAL N −29.34 −27.29 61.88 15.00 133 VAL CA −29.20 −27.74 60.49 15.00 133 VAL CB −30.57 −27.83 59.76 15.00 133 VAL CG1 −31.29 −29.10 60.15 15.00 133 VAL CG2 −31.42 −26.63 60.06 15.00 133 VAL C −28.26 −26.86 59.67 15.00 133 VAL O −27.82 −25.81 60.14 15.00 134 ALA N −27.93 −27.29 58.46 15.00 134 ALA CA −27.05 −26.53 57.59 15.00 134 ALA CB −25.65 −27.10 57.62 15.00 134 ALA C −27.62 −26.60 56.18 15.00 134 ALA O −27.92 −27.68 55.69 15.00 135 ILE N −27.80 −25.44 55.56 15.00 135 ILE CA −28.36 −25.36 54.21 15.00 135 ILE CB −29.74 −24.70 54.21 15.00 135 ILE CG2 −30.76 −25.58 54.87 15.00 135 ILE CG1 −29.64 −23.31 54.87 15.00 135 ILE CD1 −30.91 −22.52 54.84 15.00 135 ILE C −27.51 −24.50 53.29 15.00 135 ILE O −26.46 −23.99 53.67 15.00 136 ASP N −28.04 −24.32 52.09 15.00 136 ASP CA −27.44 −23.50 51.05 15.00 136 ASP CB −27.56 −24.20 49.70 15.00 136 ASP CG −27.01 −23.38 48.56 15.00 136 ASP OD1 −27.62 −23.39 47.48 15.00 136 ASP CD2 −25.96 −22.75 48.73 15.00 136 ASP C −28.17 −22.15 51.05 15.00 136 ASP O −29.30 −22.07 50.57 15.00 137 ALA N −27.56 −21.12 51.62 15.00 137 ALA CA −28.19 −19.81 51.68 15.00 137 ALA CB −28.23 −19.33 53.12 15.00 137 ALA C −27.52 −18.76 50.80 15.00 137 ALA C −27.74 −17.56 50.97 15.00 138 SER N −26.72 −19.22 49.84 15.00 138 SER CA −26.00 −18.34 48.92 15.00 138 SER CB −24.80 −19.07 48.33 15.00 138 SER OG −25.20 −20.25 47.66 15.00 138 SER C −26.85 −17.71 47.82 15.00 138 SER O −26.50 −16.66 47.27 15.00 139 LEU N −27.96 −18.36 47.45 15.00 139 LEU CA −28.85 −17.84 46.42 15.00 139 LEU CB −29.97 −18.82 46.10 15.00 139 LEU CG −29.63 −20.08 45.32 15.00 139 LEU CD1 −30.91 −20.89 45.13 15.00 139 LEU CD2 −29.04 −19.71 43.97 15.00 139 LEU C −29.45 −16.51 46.85 15.00 139 LEU O −29.82 −16.33 48.00 15.00 140 THR N −29.61 −15.59 45.90 15.00 140 THR CA −30.17 −14.28 46.20 15.00 140 THR CB −29.95 −13.25 45.03 15.00 140 THR OG1 −29.88 −13.93 43.77 15.00 140 THR CG2 −28.67 −12.47 45.23 15.00 140 THR C −31.65 −14.34 46.59 15.00 140 THR O −32.12 −13.52 47.37 15.00 141 SER N −32.37 −15.35 46.10 15.00 141 SER CA −33.79 −15.49 46.43 15.00 141 SER CB −34.47 −16.53 45.55 15.00 141 SER OG −33.70 −17.71 45.45 15.00 141 SER C −34.00 −15.80 47.91 15.00 141 SER O −34.99 −15.38 48.50 15.00 142 PHE N −33.07 −16.54 48.49 15.00 142 PHE CA −33.13 −16.89 49.91 15.00 142 PHE CB −32.01 −17.88 50.28 15.00 142 PHE CG −31.93 −18.18 51.75 15.00 142 PHE CD1 −32.67 −19.22 52.31 15.00 142 PHE CD2 −31.12 −17.42 52.59 15.00 142 PHE CE1 −32.62 −19.48 53.68 15.00 142 PHE CE2 −31.06 −17.68 53.95 15.00 142 PHE CZ −31.81 −18.71 54.51 15.00 142 PHE C −33.00 −15.60 50.70 15.00 142 PHE O −33.80 −15.30 51.59 15.00 143 GLN N −32.00 −14.81 50.30 15.00 143 GLN CA −31.67 −13.54 50.93 15.00 143 GLN CB −30.35 −13.03 50.36 15.00 143 GLN CG −29.20 −13.96 50.70 15.00 143 GLN CD −27.93 −13.71 49.91 15.00 143 GLN OE1 −27.22 −12.73 50.12 15.00 143 GLN NE2 −27.63 −14.63 49.01 15.00 143 GLN C −32.77 −12.47 50.94 15.00 143 GLN O −32.99 −11.82 51.97 15.00 144 PHE N −33.47 −12.27 49.82 15.0a 144 PHE CA −34.54 −11.27 49.79 15.00 144 PHE CB −34.55 −10.47 48.49 15.00 144 PHE CG −34.68 −11.30 47.25 15.00 144 PHE CD1 −33.69 −11.28 46.28 15.00 144 PHE CD2 −35.81 −12.07 47.03 15.00 144 PHE CE1 −33.82 −12.00 45.10 15.00 144 PHE CE2 −35.95 −12.79 45.85 15.00 144 PHE CZ −34.95 −12.76 44.89 15.00 144 PHE C −35.92 −11.84 50.10 15.00 144 PHE O −36.95 −11.28 49.70 15.00 145 TYR N −35.94 −12.99 50.77 15.00 145 TYR CA −37.17 −13.65 51.15 15.00 145 TYR CB −36.88 −15.04 51.74 15.00 145 TYR CG −38.04 −15.65 52.51 15.00 145 TYR CD1 −38.88 −16.58 51.91 15.00 145 TYR CE1 −39.95 −17.13 52.62 15.00 145 TYR CD2 −38.29 −15.28 53.83 15.00 145 TYR CE2 −39.35 −15.82 54.53 15.00 145 TYR CZ −40.17 −16.74 53.93 15.00 145 TYR OH −41.23 −17.25 54.64 15.00 145 TYR C −37.88 −12.76 52.15 15.00 145 TYR O −37.25 −12.09 52.96 15.00 146 SER N −39.21 −12.78 52.12 15.00 146 SER CA −40.01 −12.00 53.04 15.00 146 SER CB −40.30 −10.61 52.47 15.00 146 SER OG −40.96 −10.71 51.22 15.00 146 SER C −41.29 −12.72 53.43 15.00 146 SER O −41.83 −12.48 54.51 15.00 147 LYS N −41.76 −13.63 52.58 15.00 147 LYS CA −42.98 −14.39 52.86 15.00 147 LYS CB −44.22 −13.50 52.79 15.00 147 LYS CG −44.61 −13.04 51.39 15.00 147 LYS CD −45.75 −12.03 51.44 15.00 147 LYS CE −45.98 −11.35 50.09 15.00 147 LYS NZ −47.01 −10.28 50.19 15.00 147 LYS C −43.16 −15.60 51.95 15.00 147 LYS O −42.49 −15.70 50.92 15.00 148 GLY N −44.05 −16.50 52.36 15.00 148 GLY CA −44.34 −17.71 51.60 15.00 148 GLY C −43.51 −18.90 52.07 15.00 148 GLY O −42.99 −18.90 53.18 15.00 149 VAL N −43.43 −19.92 51.22 15.00 149 VAL CA −42.66 −21.12 51.51 15.00 149 VAL CB −43.53 −22.39 51.40 15.00 149 VAL CG1 −42.69 −23.64 51.56 15.00 149 VAL CG2 −44.62 −22.35 52.45 15.00 149 VAL C −41.53 −21.16 59.47 15.00 149 VAL O −41.75 −21.48 49.30 15.00 150 TYR N −40.33 −20.80 50.90 15.00 150 TYR CA −39.19 −20.78 50.01 15.00 150 TYR CB −37.96 −20.25 50.75 15.00 150 TYR CG −36.72 −20.12 49.90 15.00 150 TYR CD1 −36.64 −19.13 48.91 15.00 150 TYR CE1 −35.51 −19.02 48.09 15.00 150 TYR CD2 −35.64 −20.99 50.05 15.00 150 TYR CE2 −34.51 −20.89 49.24 15.00 150 TYR CZ −34.45 −19.91 48.26 15.00 150 TYR OH −33.36 −19.82 47.42 15.00 150 TYR C −38.89 −22.11 49.33 15.00 150 TYR O −38.81 −23.15 49.98 15.00 151 TYR N −38.77 −22.06 48.01 15.00 151 TYR CA −38.39 −23.22 47.21 15.00 151 TYR CB −39.55 −24.11 46.79 15.00 151 TYR CG −39.06 −25.31 45.98 15.00 151 TYR CD1 −37.99 −26.08 46.43 15.00 151 TYR CE1 −37.47 −27.12 45.66 15.00 151 TYR CD2 −39.60 −25.61 44.73 15.00 151 TYR CE2 −39.09 −26.64 43.95 15.00 151 TYR CZ −38.02 −27.39 44.43 15.00 151 TYR OH −37.46 −28.37 43.65 15.00 151 TYR C −37.65 −22.71 45.98 15.00 151 TYR O −38.13 −21.81 45.29 15.00 152 ASP N −36.50 −23.30 45.71 15.00 152 ASP CA −35.69 −22.88 44.58 15.00 152 ASP CB −34.92 −21.62 44.94 15.00 152 ASP CG −34.31 −20.95 43.75 15.00 152 ASP OD1 −33.30 −21.46 43.24 15.00 152 ASP OD2 −34.83 −19.90 43.34 15.00 152 ASP C −34.74 −24.00 44.16 15.00 152 ASP O −33.67 −24.16 44.74 15.00 153 GLU N −35.12 −24.77 43.14 15.00 153 GLU CA −34.30 −25.88 42.66 15.00 153 GLU CB −34.99 −26.68 41.55 15.00 153 GLU CG −35.86 −25.85 40.61 15.00 153 GLU CD −35.20 −24.55 40.21 15.00 153 GLU OE1 −35.85 −23.49 40.40 15.00 153 GLU OE2 −34.05 −24.58 39.73 15.00 153 GLU C −32.88 −25.53 42.24 15.00 153 GLU O −32.12 −26.41 41.84 15.00 154 SER N −32.56 −24.24 42.24 15.00 154 SER CA −31.21 −23.81 41.87 15.00 154 SER CB −31.23 −22.38 41.29 15.00 154 SER OG −29.99 −22.04 40.68 15.00 154 SER C −30.32 −23.92 43.11 15.00 154 SER O −29.08 −23.86 43.03 15.00 155 CYS N −30.95 −24.11 44.26 15.00 155 CYS CA −30.25 −24.27 45.52 15.00 155 CYS C −29.46 −25.57 45.44 15.00 155 CYS O −30.01 −26.60 45.04 15.00 155 CYS CB −31.24 −24.29 46.67 15.00 155 CYS SG −30.52 −24.05 48.32 15.00 156 ASN N −28.18 −25.54 45.80 15.00 156 ASN CA −27.32 −26.73 45.73 15.00 156 ASN CB −25.94 −26.34 45.18 15.00 156 ASN CG −25.00 −27.52 45.10 15.00 156 ASN OD1 −25.41 −28.68 45.25 15.00 156 ASN ND2 −23.72 −27.24 44.86 15.00 156 ASN C −27.17 −27.54 47.03 15.00 156 ASN O −26.43 −27.15 47.94 15.00 157 SER N −27.79 −28.71 47.05 15.00 157 SER CA −27.75 −29.59 48.22 15.00 157 SER CB −28.54 −30.87 47.97 15.00 157 SER OG −29.86 −30.55 47.53 15.00 157 SER C −26.34 −29.93 48.65 15.00 157 SER O −26.09 −30.17 49.82 15.00 158 ASP N −25.42 −29.97 47.69 15.00 158 ASP CA −24.04 −30.32 47.98 15.00 158 ASP CB −23.39 −30.98 46.77 15.00 158 ASP CG −24.30 −32.01 46.10 15.00 158 ASP OD1 −25.16 −31.59 45.30 15.00 158 ASP OD2 −24.16 −33.22 46.38 15.00 158 ASP C −23.23 −29.12 48.47 15.00 158 ASP O −22.07 −29.26 48.88 15.00 159 ASN N −23.84 −27.94 48.44 15.00 159 ASN CA −23.16 −26.74 48.87 15.00 159 ASN CB −23.23 −25.65 47.79 15.00 159 ASN CG −22.43 −24.40 48.16 15.00 159 ASN OD1 −21.20 −24.43 48.25 15.00 159 ASN ND2 −23.13 −23.30 48.37 15.00 159 ASN C −23.72 −26.25 50.20 15.00 159 ASN O −24.52 −25.31 50.24 15.00 160 LEU N −23.32 −26.89 51.29 15.00 160 LEU CA −23.78 −26.48 52.62 15.00 160 LEU CB −23.80 −27.66 53.59 15.00 160 LEU CG −24.71 −28.86 53.26 15.00 160 LEU CD1 −24.59 −29.92 54.34 15.00 160 LEU CD2 −26.15 −28.43 53.10 15.00 160 LEU C −22.89 −25.34 53.12 15.00 160 LEU O −21.71 −25.55 53.43 15.00 161 ASN N −23.46 −24.15 53.23 15.00 161 ASN CA −22.70 −22.98 53.65 15.00 161 ASN CB −22.49 −22.04 52.46 15.00 161 ASN CG −23.80 −21.60 51.80 15.00 161 ASN OD1 −24.62 −20.89 52.40 15.00 161 ASN ND2 −24.02 −22.04 50.57 15.00 161 ASN C −23.24 −22.19 54.82 15.00 161 ASN O −22.50 −21.41 55.44 15.00 162 HIS N −24.50 −22.38 55.16 15.00 162 HIS CA −25.09 −21.63 56.25 15.00 162 HIS CB −26.09 −20.60 55.70 15.00 162 HIS CG −26.36 −19.45 56.63 15.00 162 HIS CD2 −27.52 −18.88 57.02 15.00 162 HIS ND1 −25.35 −18.74 57.27 15.00 162 HIS CE1 −25.89 −17.79 58.01 15.00 162 HIS NE2 −27.20 −17.85 57.88 15.00 162 HIS C −25.73 −22.52 57.32 15.00 162 HIS O −26.57 −23.36 57.03 15.00 163 ALA N −25.29 −22.33 58.56 15.00 163 ALA CA −25.82 −23.08 59.68 15.00 163 ALA CB −24.83 −23.11 60.82 15.00 163 ALA C −27.09 −22.35 60.10 15.00 163 ALA O −27.17 −21.12 60.04 15.00 164 VAL N −28.07 −23.10 60.57 15.00 164 VAL CA −29.33 −22.51 60.95 15.00 164 VAL CB −30.15 −22.28 59.67 15.00 164 VAL CG1 −30.99 −23.50 59.31 15.00 164 VAL CG2 −30.94 −21.02 59.76 15.00 164 VAL C −30.02 −23.41 62.00 15.00 164 VAL O −29.40 −24.32 62.53 15.00 165 LEU N −31.28 −23.14 62.31 15.00 165 LEU CA −31.97 −23.95 63.31 15.00 165 LEU CB −31.89 −23.27 64.69 15.00 165 LEU CG −32.54 −23.86 65.94 15.00 165 LEU CD1 −31.64 −24.89 66.56 1500 165 LEU CD2 −32.80 −22.75 66.92 15.00 165 LEU C −33.42 −24.23 62.94 15.00 165 LEU O −34.17 −23.31 62.68 15.00 166 ALA N −33.78 −25.51 62.87 15.00 166 ALA CA −35.16 −25.91 62.55 15.00 166 ALA CB −35.20 −27.32 62.01 15.00 166 ALA C −35.95 −25.80 63.83 15.00 166 ALA O −35.67 −26.47 64.81 15.00 167 VAL N −36.93 −24.91 63.82 15.00 167 VAL CA −37.77 −24.62 64.97 15.00 167 VAL CB −37.87 −23.05 65.10 15.00 167 VAL CG1 −39.11 −22.60 65.81 15.00 167 VAL CG2 −36.64 −22.53 65.82 15.00 167 VAL C −39.14 −25.30 64.88 15.00 167 VAL O −39.98 −25.17 65.77 15.00 168 GLY N −39.36 −26.05 63.81 15.00 168 GLY CA −40.63 −26.73 63.66 15.00 168 GLY C −40.88 −27.11 62.23 15.00 168 GLY O −39.96 −27.09 61.41 15.00 169 TYR N −42.12 −27.45 61.92 15.00 169 TYR CA −42.52 −27.84 60.57 15.00 169 TYR CB −41.99 −29.24 60.21 15.00 169 TYR CG −42.49 −30.37 61.09 15.00 169 TYR CD1 −43.82 −30.80 61.01 15.00 169 TYR CE1 −44.30 −31.81 61.82 15.00 169 TYR CD2 −41.66 −30.99 62.01 15.00 169 TYR CE2 −42.13 −32.01 62.83 15.00 169 TYR CZ −43.46 −32.41 62.73 15.00 169 TYR OH −43.96 −33.41 63.53 15.00 169 TYR C −44.03 −27.76 60.48 15.00 169 TYR O −44.71 −27.65 61.49 15.00 170 GLY N −44.57 −27.80 59.26 15.00 170 GLY CA −46.01 −27.72 59.11 15.00 170 GLY C −46.48 −27.54 57.68 15.00 170 GLY O −45.85 −28.04 56.75 15.00 171 ILE N −47.55 −26.79 57.50 15.00 171 ILE CA −48.11 −26.53 56.18 15.00 171 ILE CB −49.30 −27.48 55.85 15.00 171 ILE CG2 −48.79 −28.88 55.55 15.00 171 ILE CG1 −50.29 −27.53 57.02 15.00 171 ILE CD1 −51.40 −26.48 56.97 15.00 171 ILE C −48.63 −25.10 56.07 15.00 171 ILE O −48.87 −24.44 57.08 15.00 172 GLN N −48.75 −24.62 54.84 15.00 172 GLN CA −49.27 −23.28 54.60 15.00 172 GLN CB −48.22 −22.34 54.00 15.00 172 GLN CG −48.63 −20.86 53.96 15.00 172 GLN CD −47.49 −19.92 54.36 15.00 172 GLN OE1 −47.54 −19.28 55.40 15.00 172 GLN NE2 −46.46 −19.83 53.52 15.00 172 GLN C −50.46 −23.45 53.67 15.00 172 GLN O −51.49 −24.00 54.07 15.00 173 LYS N −50.30 −23.07 52.41 15.00 173 LYS CA −51.38 −23.21 51.46 15.00 173 LYS CB −51.36 −22.10 50.42 15.00 173 LYS CG −51.38 −20.70 51.04 15.00 173 LYS CD −52.68 −20.45 51.78 15.00 173 LYS CE −53.81 −20.28 50.78 15.00 173 LYS NZ −53.58 −19.10 49.88 15.00 173 LYS C −51.15 −24.57 50.86 15.00 173 LYS O −50.84 −24.70 49.68 15.00 174 GLY N −51.19 −25.57 51.73 15.00 174 GLY CA −50.98 −26.94 51.31 15.00 174 GLY C −49.52 −27.32 51.13 15.00 174 GLY O −49.20 −28.49 50.87 15.00 175 ASN N −48.63 −26.35 51.27 15.00 175 ASN CA −47.21 −26.62 51.11 15.00 175 ASN CB −46.45 −25.42 50.56 15.00 175 ASN CG −47.23 −24.69 49.49 15.00 175 ASN OD1 −48.07 −23.83 49.80 15.00 175 ASN ND2 −46.97 −25.03 48.24 15.00 175 ASN C −46.60 −27.05 52.42 15.00 175 ASN O −46.82 −26.41 53.46 15.00 176 LYS N −45.87 −28.16 52.38 15.00 176 LYS CA −45.20 −28.68 53.57 15.00 176 LYS CB −44.69 −30.10 53.34 15.00 176 LYS CG −45.74 −31.11 52.86 15.00 176 LYS CD −46.88 −31.26 53.85 15.00 176 LYS CE −47.97 −32.21 53.34 15.00 176 LYS NZ −48.80 −31.66 52.19 15.00 176 LYS C −44.05 −27.71 53.76 15.00 176 LYS O −43.63 −27.08 52.80 15.00 177 HIS N −43.57 −27.54 54.99 15.00 177 HIS CA −42.45 −26.64 55.21 15.00 177 HIS CB −42.88 −25.18 54.99 15.00 177 HIS CG −43.82 −24.66 56.02 15.00 177 HIS CD2 −43.66 −24.45 57.35 15.00 177 HIS ND1 −45.10 −24.21 55.71 15.00 177 HIS CE1 −45.67 −23.75 56.81 15.00 177 HIS NE2 −44.82 −23.88 57.81 15.00 177 HIS C −41.71 −26.78 56.53 15.00 177 HIS O −42.23 −27.35 57.50 15.00 178 TRP N −40.49 −26.24 56.54 15.00 178 TRP CA −39.60 −26.23 57.69 15.00 178 TRP CB −38.19 −26.64 57.31 15.00 178 TRP CG −37.99 −28.06 56.96 15.00 178 TRP CD2 −38.07 −29.18 57.84 15.00 178 TRP CE2 −37.75 −30.33 57.09 15.00 178 TRP CE3 −38.38 −29.33 59.20 15.00 178 TRP CD1 −37.64 −28.56 55.74 15.00 178 TRP NE1 −37.49 −29.92 55.81 15.00 178 TRP CZ2 −37.73 −31.61 57.65 15.00 178 TRP CZ3 −38.37 −30.60 59.76 15.00 178 TRP CH2 −38.05 −31.72 58.98 15.00 178 TRP C −39.54 −24.81 58.28 15.00 178 TRP O −39.17 −23.88 57.58 15.00 179 ILE N −39.90 −24.63 59.55 15.00 179 ILE CA −39.78 −23.31 60.15 15.00 179 ILE CB −40.56 −23.19 61.47 15.00 179 ILE CG2 −40.42 −21.80 62.04 15.00 179 ILE CG1 −42.03 −23.55 61.26 15.00 179 ILE CD1 −42.83 −23.54 62.53 15.00 179 ILE C −38.30 −23.20 60.48 15.00 179 ILE O −37.76 −24.02 61.22 15.00 180 ILE N −37.61 −22.23 59.88 15.00 180 ILE CA −36.18 −22.05 60.12 15.00 180 ILE CB −35.39 −22.09 58.78 15.00 180 ILE CG2 −33.93 −21.75 58.98 15.00 180 ILE CG1 −35.49 −23.48 58.17 15.00 180 ILE CD1 −35.01 −24.57 59.10 15.00 180 ILE C −35.91 −20.73 60.84 15.00 180 ILE O −36.58 −19.74 60.60 15.00 181 LYS N −34.98 −20.76 61.79 15.00 181 LYS CA −34.59 −19.57 62.52 15.00 181 LYS CB −34.57 −19.82 64.03 15.00 181 LYS CG −34.13 −18.62 64.86 15.00 181 LYS CD −33.87 −19.01 66.30 15.00 181 LYS CE −33.59 −17.80 67.13 15.00 181 LYS NZ −33.32 −18.14 68.55 15.00 181 LYS C −33.19 −19.24 62.02 15.00 181 LYS O −32.27 −20.05 62.15 15.00 182 ASN N −33.04 −18.08 61.38 15.00 182 ASN CA −31.75 −17.66 60.85 15.00 182 ASN CB −31.93 −16.90 59.53 15.00 182 ASN CG −30.71 −16.97 58.64 15.00 182 ASN OD1 −29.58 −17.07 59.11 15.00 182 ASN ND2 −30.94 −16.92 57.33 15.00 182 ASN C −31.07 −16.80 61.91 15.00 182 ASN O −31.52 −16.75 63.05 15.00 183 SER N −29.98 −16.13 61.55 15.00 183 SER CA −29.28 −15.27 62.49 15.00 183 SER CB −28.10 −16.00 63.13 15.00 183 SER OG −27.27 −16.59 62.15 15.00 183 SER C −28.83 −13.99 61.81 15.00 183 SER O −27.65 −13.66 61.82 15.00 184 TRP N −29.77 −13.30 61.17 15.00 184 TRP CA −29.49 −12.05 60.48 15.00 184 TRP CB −29.61 −12.22 58.96 15.00 184 TRP CG −28.60 −13.15 58.37 15.00 184 TRP CD2 −28.66 −13.78 57.08 15.00 184 TRP CE2 −27.49 −14.55 56.94 15.00 184 TRP CE3 −29.60 −13.77 56.03 15.00 184 TRP CD1 −27.43 −13.56 58.93 15.00 184 TRP NE1 −26.76 −14.39 58.08 15.00 184 TRP CZ2 −27.22 −15.31 55.78 15.00 184 TRP CZ3 −29.33 −14.53 54.89 15.00 184 TRP CH2 −28.15 −15.29 54.78 15.00 184 TRP C −30.42 −10.97 61.00 15.00 184 TRP O −30.89 −10.12 60.25 15.00 185 GLY N −30.70 −11.03 62.30 15.00 185 GLY CA −31.58 −10.07 62.94 15.00 185 GLY C −33.02 −10.33 62.57 15.00 185 GLY O −33.31 −11.05 61.62 15.00 186 GLU N −33.94 −9.76 63.35 15.00 186 GLU CA −35.36 −9.93 63.07 15.00 186 GLU CB −36.22 −9.59 64.28 15.00 186 GLU CG −36.03 −8.21 64.80 15.00 186 GLU CD −36.84 −7.96 66.04 15.00 186 GLU OE1 −37.97 −8.49 66.13 15.00 186 GLU OE2 −36.35 −7.22 66.93 15.00 186 GLU C −35.77 −9.12 61.86 15.00 186 GLU O −36.90 −9.24 61.38 15.00 187 ASN N −34.84 −8.32 61.36 15.00 187 ASN CA −35.06 −7.47 60.20 15.00 187 ASN CB −34.05 −6.32 60.16 15.00 187 ASN CG −34.41 −5.27 59.11 15.00 187 ASN OD1 −35.57 −5.16 58.70 15.00 187 ASN ND2 −33.41 −4.49 58.69 15.00 187 ASN C −35.00 −8.26 58.94 15.00 187 ASN O −35.44 −7.79 57.86 15.00 188 TRP N −34.42 −9.46 58.97 15.00 188 TRP CA −34.30 −10.30 57.80 15.00 188 TRP CB −33.01 −11.12 57.86 15.00 188 TRP CG −32.84 −11.99 56.71 15.00 188 TRP CD2 −33.26 −13.36 56.60 15.00 188 TRP CE2 −32.96 −13.77 55.29 15.00 188 TRP CE3 −33.86 −14.26 57.48 15.00 188 TRP CD1 −32.32 −11.65 55.51 15.00 188 TRP NE1 −32.39 −12.71 54.64 15.00 188 TRP CZ2 −33.24 −15.07 54.83 15.00 188 TRP CZ3 −34.15 −15.55 57.02 15.00 188 TRP CH2 −33.84 −15.94 55.72 15.00 188 TRP C −35.50 −11.21 57.63 15.00 188 TRP O −36.05 −11.71 58.61 15.00 189 GLY N −35.92 −11.43 56.38 15.00 189 GLY CA −37.05 −12.30 56.10 15.00 189 GLY C −38.29 −11.99 56.92 15.00 189 GLY O −38.61 −10.83 57.20 15.00 190 ASN N −39.01 −13.04 57.31 15.00 190 ASN CA −40.21 −12.85 58.11 15.00 190 ASN CB −41.21 −13.98 57.90 15.00 190 ASN CG −42.58 −13.65 58.45 15.00 190 ASN OD1 −42.74 −12.81 59.33 15.00 190 ASN ND2 −43.60 −14.32 57.92 15.00 190 ASN C −39.77 −12.74 59.56 15.00 190 ASN O −39.83 −13.72 60.30 15.00 191 LYS N −39.24 −11.59 59.94 15.00 191 LYS CA −38.80 −11.39 61.31 15.00 191 LYS CB −40.02 −11.23 62.23 15.00 191 LYS CG −40.86 −10.00 61.87 15.00 191 LYS CD −42.05 −9.79 62.79 15.00 191 LYS CE −43.16 −10.79 62.51 15.00 191 LYS NZ −43.76 −10.63 61.14 15.00 191 LYS C −37.83 −12.46 61.81 15.00 191 LYS O −38.02 −13.08 62.86 15.00 192 GLY N −36.77 −12.65 61.03 15.00 192 GLY CA −35.73 −13.62 61.37 15.00 192 GLY C −35.96 −15.05 60.91 15.00 192 GLY O −35.00 −15.80 60.72 15.00 193 TYR N −37.21 −15.43 60.71 15.00 193 TYR CA −37.53 −16.78 60.30 15.00 193 TYR CB −38.71 −17.32 61.10 15.00 193 TYR CG −38.44 −17.47 62.58 15.00 193 TYR CD1 −38.48 −16.39 63.44 15.00 193 TYR CE1 −38.21 −16.54 64.79 15.00 193 TYR CD2 −38.12 −18.72 63.11 15.00 193 TYR CE2 −37.84 −18.88 64.46 15.00 193 TYR CZ −37.89 −17.79 65.29 15.00 193 TYR OH −37.62 −17.95 66.63 15.00 193 TYR C −37.78 −16.91 58.82 15.00 193 TYR O −38.05 −15.93 58.14 15.00 194 ILE N −37.72 −18.14 58.33 15.00 194 ILE CA −37.95 −18.43 56.92 15.00 194 ILE CB −36.63 −18.38 56.07 15.00 194 ILE CG2 −35.63 −19.42 56.55 15.00 194 ILE CG1 −36.94 −18.61 54.60 15.00 194 ILE CD1 −35.75 −18.49 53.69 15.00 194 ILE C −38.57 −19.82 56.79 15.00 194 ILE O −38.12 −20.78 57.42 15.00 195 LEU N −39.65 −19.91 56.03 15.00 195 LEU CA −40.34 −21.17 55.80 15.00 195 LEU CB −41.84 −20.95 55.67 15.00 195 LEU CG −42.72 −21.15 56.90 15.00 195 LEU CD1 −42.11 −20.50 58.14 15.00 195 LEU CD2 −44.10 −20.59 56.59 15.00 195 LEU C −39.79 −21.84 54.56 15.00 195 LEU O −40.17 −21.50 53.45 15.00 196 MET N −38.86 −22.76 54.75 15.00 196 MET CA −38.25 −23.48 53.63 15.00 196 MET CB −36.83 −23.91 53.98 15.00 196 MET CG −35.91 −22.73 54.21 15.00 196 MET SD −34.18 −23.17 54.37 15.00 196 MET CE −33.94 −24.05 52.84 15.00 196 MET C −39.13 −24.66 53.22 15.00 196 MET O −40.03 −25.06 53.97 15.00 197 ALA N −38.87 −25.24 52.05 15.00 197 ALA CA −39.67 −26.35 51.54 15.00 197 ALA CB −39.50 −26.46 50.04 15.00 197 ALA C −39.40 −27.70 52.18 15.00 197 ALA O −38.26 −28.15 52.25 15.00 198 ARG N −40.47 −28.36 52.62 15.00 198 ARG CA −40.35 −29.67 53.24 15.00 198 ARG CB −41.11 −29.71 54.57 15.00 198 ARG CG −41.08 −31.06 55.27 15.00 198 ARG CD −41.32 −30.93 56.75 15.00 198 ARG NE −42.61 −30.32 57.06 15.00 198 ARG CZ −43.76 −30.98 57.14 15.00 198 ARG NH1 −43.79 −32.29 56.95 15.00 198 ARG NH2 −44.88 −30.33 57.45 15.00 198 ARG C −40.82 −30.77 52.30 15.00 198 ARG O −41.91 −30.70 51.73 15.00 199 ASN N −39.97 −31.76 52.12 15.00 199 ASN CA −40.27 −32.90 51.25 15.00 199 ASN CB −41.62 −33.54 51.63 15.00 199 ASN CG −41.53 −34.36 52.90 15.00 199 ASN OD1 −42.42 −34.31 53.75 15.00 199 ASN ND2 −40.45 −35.13 53.05 15.00 199 ASN C −40.21 −32.59 49.76 15.00 199 ASN O −40.78 −33.32 48.94 15.00 200 LYS N −39.48 −31.54 49.41 15.00 200 LYS CA −39.31 −31.17 48.01 15.00 200 LYS CB −39.31 −29.66 47.81 15.00 200 LYS CG −40.70 −29.02 47.77 15.00 200 LYS CD −41.37 −29.23 46.42 15.00 200 LYS CE −42.76 −28.59 46.37 15.00 200 LYS NZ −42.73 −27.14 46.73 15.00 200 LYS C −37.98 −31.78 47.60 15.00 200 LYS O −37.11 −31.09 47.06 15.00 201 ASN N −37.81 −33.06 47.93 15.00 201 ASN CA −36.58 −33.78 47.62 15.00 201 ASN CB −36.41 −33.93 46.11 15.00 201 ASN CG −37.15 −35.13 45.56 15.00 201 ASN OD1 −36.68 −35.78 44.63 15.00 201 ASN ND2 −38.3.2 −35.42 46.13 15.00 201 ASN C −35.33 −33.22 48.27 15.00 201 ASN O −34.27 −33.16 47.66 15.00 202 ASN N −35.46 −32.84 49.54 15.00 202 ASN CA −34.37 −32.30 50.35 15.00 202 ASN CB −33.25 −33.34 50.49 15.00 202 ASN CG −32.20 −32.93 51.48 15.00 202 ASN OD1 −32.51 −32.44 52.56 15.00 202 ASN ND2 −30.94 −33.14 51.13 15.00 202 ASN C −33.83 −30.96 49.85 15.00 202 ASN O −32.62 −30.77 49.68 15.00 203 ALA N −34.73 −30.00 49.69 15.00 203 ALA H −35.60 −30.20 50.07 15.00 203 ALA CA −34.39 −28.68 49.18 15.00 203 ALA CB −35.57 −27.74 49.24 15.00 203 ALA C −33.27 −28.06 50.04 15.00 203 ALA O −33.33 −28.03 51.26 15.00 204 CYS N −32.23 −27.56 49.35 15.00 204 CYS CA −31.11 −26.89 50.02 15.00 204 CYS C −30.29 −27.71 51.00 15.00 204 CYS O −29.50 −27.14 51.76 15.00 204 CYS CB −31.58 −25.60 50.69 15.00 204 CYS SG −32.12 −24.29 49.55 15.00 205 GLY N −30.43 −29.03 50.98 15.00 205 GLY CA −29.68 −29.88 51.90 15.00 205 GLY C −30.10 −29.71 53.35 15.00 205 GLY O −29.31 −29.92 54.27 15.00 206 ILE N −31.37 −29.38 53.54 15.00 206 ILE CA −31.95 −29.16 54.85 15.00 206 ILE CB −33.46 −28.92 54.73 15.00 206 ILE CG2 −34.13 −30.13 54.12 15.00 206 ILE CG1 −34.06 −28.55 56.10 15.00 206 ILE CD1 −33.76 −27.15 56.54 15.00 206 ILE C −31.71 −30.29 55.85 15.00 206 ILE O −31.47 −30.04 57.03 15.00 207 ALA N −31.79 −31.54 55.38 15.00 207 ALA CA −31.58 −32.69 56.25 15.00 207 ALA CB −32.72 −33.68 56.08 15.00 207 ALA C −30.25 −33.35 55.94 15.00 207 ALA O −30.15 −34.57 55.95 15.00 208 ASN N −29.24 −32.54 55.67 15.00 208 ASN CA −27.91 −33.04 55.33 15.00 208 ASN CB −27.41 −32.42 54.03 15.00 208 ASN CG −27.70 −33.30 52.84 15.00 208 ASN OD1 −28.85 −33.50 52.47 15.00 208 ASN ND2 −26.65 −33.86 52.26 15.00 208 ASN C −26.85 −32.89 56.41 15.00 208 ASN O −25.80 −33.53 56.35 15.00 209 LEU N −27.08 −32.00 57.36 15.00 209 LEU CA −26.10 −31.82 58.42 15.00 209 LEU CB −25.07 −30.77 58.03 15.00 209 LEU CG −23.69 −31.04 58.63 15.00 209 LEU CD1 −23.08 −32.21 57.88 15.00 209 LEU CD2 −22.82 −29.81 58.52 15.00 209 LEU C −26.77 −31.46 59.73 15.00 209 LEU O −26.25 −30.66 60.51 15.00 210 ALA N −27.91 −32.08 59.97 15.00 210 ALA H −27.81 −31.90 59.38 15.00 210 ALA CA −28.67 −31.80 61.19 15.00 210 ALA CB −29.27 −31.17 61.33 15.00 210 ALA C −28.06 −32.58 62.37 15.00 210 ALA O −27.58 −33.69 62.23 15.00 211 SER N −28.08 −31.93 63.53 15.00 211 SER CA −27.60 −32.53 64.76 15.00 211 SER CB −26.07 −32.52 64.86 15.00 211 SER OG −25.53 −31.21 64.89 15.00 211 SER C −28.25 −31.80 65.93 15.00 211 SER O −28.68 −30.65 65.78 15.00 212 PHE N −28.44 −32.51 67.03 15.00 212 PHE CA −29.04 −31.94 68.23 15.00 212 PHE CB −30.53 −32.29 68.37 15.00 212 PHE CC −30.81 −33.77 68.41 15.00 212 PHE CD1 −31.04 −34.48 67.24 15.00 212 PHE CD2 −30.85 −34.45 69.62 15.00 212 PHE CE1 −31.30 −35.84 67.27 15.00 212 PHE CE2 −31.11 −35.82 69.67 15.00 212 PHE CZ −31.33 −36.51 68.48 15.00 212 PHE C −28.22 −32.41 69.43 15.00 212 PHE O −27.54 −33.43 69.36 15.00 213 PRO N −28.19 −31.63 70.50 15.00 213 PRO CD −28.56 −30.21 70.63 15.00 213 PRO CA −27.41 −32.07 71.65 15.00 213 PRO CB −26.98 −30.75 72.28 15.00 213 PRO CG −28.17 −29.90 72.06 15.00 213 PRO C −28.21 −32.91 72.65 15.00 213 PRO O −29.45 −32.81 72.72 15.00 214 LYS N −27.50 −33.77 73.38 15.00 214 LYS CA −28.12 −34.59 74.42 15.00 214 LYS CB −27.50 −35.97 74.52 15.00 214 LYS CG −28.01 −37.00 73.53 15.00 214 LYS CD −27.20 −38.28 73.68 15.00 214 LYS CE −27.79 −39.45 72.93 15.00 214 LYS NZ −27.00 −40.67 73.21 15.00 214 LYS C −27.86 −33.84 75.70 15.00 214 LYS O −26.73 −33.45 75.98 15.00 215 MET N −28.90 −33.63 76.49 15.00 215 MET CA −28.73 −32.91 77.73 15.00 215 MET CB −29.47 −31.58 77.67 15.00 215 MET CG −28.62 −30.45 78.17 15.00 215 MET SD −29.49 −28.92 78.17 15.00 215 MET CE −30.02 −28.81 79.89 15.00 215 MET C −29.15 −33.74 78.95 15.00 215 MET OT1 −30.12 −34.53 78.84 15.00 215 MET OT2 −28.49 −33.59 80.01 15.00 216 HOH OH2 −28.59 −18.05 86.43 15.00 217 HOH OH2 −24.24 −33.32 82.08 15.00 218 HOH OH2 −30.97 −16.19 65.69 15.00 219 HOH OH2 −30.10 −20.71 63.47 15.00 220 HOH OH2 −13.66 −11.12 63.10 15.00 221 HOH OH2 −9.67 −9.48 64.25 15.00 222 HOH OH2 −34.55 −23.08 70.24 15.00 223 HOH OH2 −14.15 −32.13 69.51 15.00 224 HOH OH2 −11.90 −8.52 62.51 15.00 225 HOH OH2 −24.25 −30.66 62.17 15.00 226 HOH OH2 −10.58 −2.52 79.25 15.00 227 HOH OH2 −14.05 −21.32 67.22 15.00 228 HOH OH2 −44.68 −30.63 50.04 15.00 229 HOH OH2 −45.38 −36.05 56.05 15.00 230 HOH OH2 −39.65 −13.31 65.32 15.00 231 HOH OH2 −35.12 −36.60 49.29 15.00 232 HOH OH2 −17.36 −34.13 65.07 15.00 233 HOH OH2 −30.35 −19.53 65.73 15.00 234 HOH OH2 −27.89 −19.53 62.51 15.00 235 HOH OH2 −21.85 −29.55 62.34 15.00 236 HOH OH2 −30.14 3.73 67.17 15.00 237 HOH OH2 −40.50 −29.62 80.16 15.00 238 HOH OH2 −27.85 −23.15 86.33 15.00 239 HOH OH2 −38.29 −13.95 44.87 15.00 240 HOH OH2 −36.58 −24.59 50.05 15.00 241 HOH OH2 −46.68 −34.18 57.37 15.00 242 HOH OH2 −26.77 −6.82 59.79 15.00 243 HOH OH2 −43.58 −17.40 60.45 15.00 244 HOH OH2 −23.22 −6.13 61.38 15.00 245 HOH OH2 −33.13 −28.30 71.09 15.00 246 HOH OH2 −46.57 −25.22 78.97 15.00 247 HOH OH2 −14.51 −7.76 88.79 15.00 248 HOH OH2 −3.26 −20.73 74.76 15.00 249 HOH OH2 0.44 −15.91 75.31 15.00 250 HOH OH2 −19.71 −34.82 58.63 15.00 251 HOH OH2 −34.91 −11.28 53.79 15.00 252 HOH OH2 −32.46 −28.27 46.13 15.00 253 HOH OH2 −38.20 −15.68 37.93 15.00 254 HOH OH2 −41.44 −34.28 56.30 15.00 255 HOH OH2 −46.93 −13.62 73.92 15.00 256 HOH OH2 −32.58 −13.60 60.68 15.00 257 HOH OH2 −35.46 −6.38 55.50 15.00 258 HOH OH2 −24.79 −7.91 66.67 15.00 259 HOH OH2 −32.06 −6.48 63.77 15.00 260 HOH OH2 −17.19 −5.30 66.67 15.00 261 HOH OH2 −33.68 −20.47 70.17 15.00 262 HOH OH2 −13.42 −23.06 78.55 15.00 263 HOH OH2 −8.54 −20.70 73.58 15.00 264 HOH OH2 −8.22 −29.32 76.42 15.00 265 HOH OH2 −25.08 −33.76 60.84 15.00 266 HOH OH2 −23.92 −37.99 66.66 15.00 267 HOH OH2 −14.04 −33.08 66.81 15.00 268 HOH OH2 −12.79 −27.03 71.88 15.00 269 HOH OH2 −18.55 −42.19 77.34 15.00 270 HOH OH2 −22.19 −37.43 71.34 15.00 271 HOH OH2 −3.79 −11.43 71.45 15.00 272 HOH OH2 −10.91 −19.86 67.02 15.00 273 HOH OH2 −30.22 −20.12 49.07 15.00 274 HOH OH2 −25.88 −18.93 42.52 15.00 275 HOH OH2 −36.21 −36.23 51.70 15.00 276 HOH OH2 −20.20 −20.55 47.99 15.00 277 HOH OH2 −38.35 −31.19 41.44 15.00 278 HOH OH2 −37.29 −30.41 51.12 15.00

TABLE X Table of the orthogonal three dimensional coordinates in Ångstroms and B factors (Å²) for the cathepsin K complex with inhibitor 1-N-(N-imidazole acetyl- leucinyl)-amino-3-N-(4-phenoxy-phenyl-sulfonyl)- amino-propan-2-one Residue Atom X Y Z B  1 ALA CB −8.26 15.35 87.29 15.00  1 ALA C −6.43 14.73 88.90 15.00  1 ALA O −6.17 15.27 89.97 15.00  1 ALA N −8.92 14.74 89.58 15.00  1 ALA CA −7.91 14.50 88.49 15.00  2 PRO N −5.47 14.25 88.09 15.00  2 PRO CD −5.62 13.29 86.98 15.00  2 PRO CA −4.05 14.45 88.44 15.00  2 PRO CB −3.32 13.49 87.50 15.00  2 PRO CG −4.27 13.38 86.30 15.00  2 PRO C −3.55 15.87 88.27 15.00  2 PRO O −4.33 16.79 88.21 15.00  3 ASP N −2.23 16.02 88.20 15.00  3 ASP CA −1.59 17.30 88.03 15.00  3 ASP CB −0.07 17.14 88.15 15.00  3 ASP CG 0.45 17.62 89.50 15.00  3 ASP OD1 −0.04 17.07 90.52 15.00  3 ASP OD2 1.29 18.57 89.55 15.00  3 ASP C −1.90 18.00 86.73 15.00  3 ASP C −1.71 17.44 85.64 15.00  4 SER N −2.32 19.26 86.85 15.00  4 SER CA −2.67 20.16 85.75 15.00  4 SER CB −3.63 19.49 84.75 15.00  4 SER OG −4.80 19.03 85.40 15.00  4 SER C −3.32 21.45 86.30 15.00  4 SER O −3.83 21.46 87.42 15.00  5 VAL N −3.30 22.53 85.53 15.00  5 VAL CA −3.93 23.80 85.94 15.00  5 VAL CB −3.00 24.65 86.90 15.00  5 VAL CG1 −1.73 25.13 86.17 15.00  5 VAL CG2 −3.76 25.89 87.45 15.00  5 VAL C −4.21 24.62 84.69 15.00  5 VAL O −3.43 24.58 83.75 15.00  6 ASP N −5.38 25.23 84.60 15.00  6 ASP CA −5.68 26.09 83.46 15.00  6 ASP CB −6.83 25.51 82.64 15.00  6 ASP CG −7.00 26.20 81.28 15.00  6 ASP OD1 −6.01 26.77 80.80 15.00  6 ASP OD2 −8.12 26.17 80.72 15.00  6 ASP C −6.08 27.42 84.03 15.00  6 ASP O −7.06 27.49 84.72 15.00  7 TYR N −5.27 28.45 83.88 15.00  7 TYR CA −5.62 29.77 84.41 15.00  7 TYR CB −4.36 30.64 84.56 15.00  7 TYR CG −3.46 30.18 85.71 15.00  7 TYR CD1 −3.91 30.31 87.05 15.00  7 TYR CE1 −3.20 29.78 88.07 15.00  7 TYR CD2 −2.23 29.50 85.46 15.00  7 TYR CE2 −1.52 28.98 86.45 15.00  7 TYR CZ −2.00 29.10 87.79 15.00  7 TYR OH −1.35 28.46 88.84 15.00  7 TYR C −6.71 30.50 83.66 15.00  7 TYR O −7.24 31.48 84.14 15.00  8 ARG N −7.05 29.98 82.49 15.00  8 ARG CA −8.10 30.59 81.68 15.00  8 ARG CB −8.09 30.02 80.26 15.00  8 ARG CG −6.79 30.28 79.56 15.00  8 ARG CD −6.68 29.59 78.25 15.00  8 ARG NE −6.70 28.13 78.38 15.00  8 ARG CZ −6.78 27.29 77.36 15.00  8 ARG NH1 −6.85 27.73 76.13 15.00  8 ARG NH2 −6.72 25.99 77.58 15.00  8 ARG C −9.44 30.40 82.35 15.00  8 ARG O −10.24 31.34 82.45 15.00  9 LYS N −9.68 29.21 82.87 15.00  9 LYS CA −10.94 28.95 83.54 15.00  9 LYS CB −11.17 27.45 83.73 15.00  9 LYS CG −11.06 26.59 82.48 15.00  9 LYS CD −11.19 25.12 82.85 15.00  9 LYS CE −11.10 24.18 81.67 1$.00  9 LYS NZ −11.53 22.81 82.08 15.00  9 LYS C −10.96 29.61 84.91 15.00  9 LYS O −12.02 29.58 85.59 15.00  10 LYS N −9.86 30.26 85.31 15.00  10 LYS CA −9.84 30.86 86.64 15.00  10 LYS CB −8.57 30.42 87.38 15.00  10 LYS CG −8.45 28.89 87.51 15.00  10 LYS CD −7.03 28.46 87.81 15.00  10 LYS CE −6.43 29.14 89.04 15.00  10 LYS NZ −7.24 28.91 90.30 15.00  10 LYS C −9.98 32.40 86.61 15.00  10 LYS O −10.16 33.04 87.64 15.00  11 GLY N −9.85 32.98 85.41 15.00  11 GLY CA −9.94 34.41 85.22 15.00  11 GLY C −8.63 35.17 85.27 15.00  11 GLY O −8.61 36.39 85.26 15.00  12 TYR N −7.54 34.42 85.20 15.00  12 TYR CA −6.21 34.98 85.26 15.00  12 TYR CB −5.24 33.95 85.84 15.00  12 TYR CG −5.32 33.72 87.35 15.00  12 TYR CD1 −6.52 33.50 87.99 15.00  12 TYR CE1 −6.58 33.26 89.37 15.00  12 TYR CD2 −4.18 33.66 88.13 15.00  12 TYR CE2 −4.23 33.42 89.47 15.00  12 TYR CZ −5.42 33.23 90.06 15.00  12 TYR OH −5.43 33.02 91.43 15.00  12 TYR C −5.68 35.43 83.90 15.00  12 TYR O −4.68 36.17 83.83 15.00  13 VAL N −6.34 35.06 82.81 15.00  13 VAL CA −5.82 35.45 81.50 15.00  13 VAL CB −5.54 34.18 80.66 15.00  13 VAL CG1 −4.93 34.52 79.31 15.00  13 VAL CG2 −4.58 33.24 81.42 15.00  13 VAL C −6.76 36.37 80.72 15.00  13 VAL O −7.95 36.17 80.78 15.00  14 THR N −6.24 37.41 80.08 15.00  14 THR CA −7.06 38.29 79.27 15.00  14 THR CB −6.41 39.67 79.12 15.00  14 THR OG1 −5.06 39.53 78.69 15.00  14 THR CG2 −6.48 40.43 80.39 15.00  14 THR C −7.20 37.68 77.89 15.00  14 THR O −6.41 36.81 77.48 15.00  15 PRO N −8.14 38.18 77.09 15.00  15 PRO CD −9.11 39.26 77.34 15.00  15 PRO CA −8.33 37.64 75.75 15.00  15 PRO CB −9.51 38.47 75.23 15.00  15 PRO CG −9.35 39.77 75.97 15.00  15 PRO C −7.09 37.85 74.89 15.00  15 PRO O −6.26 38.73 75.17 15.00  16 VAL N −6.96 37.00 73.87 15.00  16 VAL CA −5.81 37.05 73.00 15.00  16 VAL CB −5.74 35.80 72.11 15.00  16 VAL CG1 −4.42 35.77 71.35 15.00  16 VAL CG2 −5.84 34.56 72.97 15.00  16 VAL C −5.76 38.30 72.12 15.00  16 VAL O −6.70 38.61 71.37 15.00  17 LYS N −4.58 38.91 72.12 15.00  17 LYS CA −4.36 40.08 71.32 15.00  17 LYS CB −3.75 41.20 72.15 15.00  17 LYS CG −4.73 42.01 72.95 15.00  17 LYS CD −5.27 41.23 74.12 15.00  17 LYS CE −5.71 42.11 75.23 15.00  17 LYS NZ −5.93 41.40 76.53 15.00  17 LYS C −3.45 39.72 70.16 15.00  17 LYS O −2.83 38.63 70.16 15.00  18 ASN N −3.32 40.68 69.24 15.00  18 ASN CA −2.51 40.54 68.03 15.00  18 ASN CB −3.37 40.84 66.84 15.00  18 ASN CG −2.76 40.33 65.56 15.00  18 ASN OD1 −1.57 40.56 65.29 15.00  18 ASN ND2 −3.55 39.60 64.78 15.00  18 ASN C −1.33 41.51 68.00 15.00  18 ASN O −1.50 42.73 67.86 15.00  19 GLN N −0.15 40.93 68.03 15.00  19 GLN CA 1.12 41.67 68.01 15.00  19 GLN CB 2.23 40.66 67.93 15.00  19 GLN CG 3.64 41.21 67.96 15.00  19 GLN CD 4.65 40.13 68.03 15.00  19 GLN OE1 4.35 39.00 68.42 15.00  19 GLN NE2 5.86 40.47 67.64 15.00  19 GLN C 1.22 42.69 66.88 15.00  19 GLN O 1.75 43.75 67.04 15.00  20 GLY N 0.66 42.38 65.74 15.00  20 GLY CA 0.66 43.27 64.59 15.00  20 GLY C 1.84 42.90 63.73 15.00  20 GLY O 1.98 41.74 63.33 15.00  21 GLN N 2.67 43.89 63.43 15.00  21 GLN CA 3.88 43.70 62.61 15.00  21 GLN CB 3.90 44.62 61.39 15.00  21 GLN CG 2.90 44.23 60.27 15.00  21 GLN CD 3.33 43.03 59.44 15.00  21 GLN OE1 4.25 43.10 58.59 15.00  21 GLN NE2 2.58 41.95 59.58 15.00  21 GLN C 5.05 44.09 63.52 15.00  21 GLN O 6.20 43.88 63.19 15.00  22 CYS N 4.74 44.77 64.60 15.00  22 CYS CA 5.74 45.22 65.53 15.00  22 CYS C 6.26 44.01 66.35 15.00  22 CYS O 5.48 43.07 66.60 15.00  22 CYS CB 5.08 46.25 66.43 15.00  22 CYS SG 6.07 46.62 67.91 15.00  23 GLY N 7.57 43.99 66.68 15.00  23 GLY CA 8.16 42.91 67.47 15.00  23 GLY C 8.07 43.16 68.96 15.00  23 GLY O 9.08 43.15 69.68 15.00  24 SER N 6.82 43.29 69.42 15.00  24 SER CA 6.47 43.55 70.79 15.00  24 SER CB 5.45 44.66 70.86 15.00  24 SER OG 4.31 44.30 70.15 15.00  24 SER C 5.97 42.28 71.46 15.00  24 SER O 5.26 42.34 72.45 15.00  25 CYS N 6.43 41.13 70.98 15.00  25 CYS CA 6.06 39.87 71.53 15.00  25 CYS CB 6.61 38.78 70.65 15,00  25 CYS SG 8.41 38.83 70.46 15.00  25 CYS C 6.49 39.79 73.01 15.00  25 CYS O 5.74 39.28 73.84 15.00  25 INH C1 3.24 39.22 63.40 15.00  25 INH C2 2.86 38.72 62.13 15.00  25 INH C3 1.57 38.27 61.89 15.00  25 INH C4 0.62 38.31 62.90 15.00  25 INH C5 0.94 38.79 64.16 15.00  25 INH C6 2.25 39.24 64.42 15.00  25 INH O7 4.57 39.75 63.63 15.00  25 INH C8 5.72 39.02 63.91 15.00  25 INH C9 5.62 38.42 65.17 15.00  25 INH C10 6.58 37.50 65.60 15.00  25 INH C11 7.65 37.17 64.78 15.00  25 INH C12 7.79 37.78 63.51 15.00  25 INH C13 6.82 38.71 63.08 15.00  25 INH S14 8.67 35.93 65.55 15.00  25 INH O15 7.93 34.70 65.54 15.00  25 INH O16 9.92 35.97 64.82 15.00  25 INH N17 8.95 36.39 67.18 15.00  25 INH C18 9.50 37.7.0 67.57 15.00  25 INH C19 9.05 38.78 68.64 15.00  25 INH O20 8.53 39.68 67.70 15.00  25 INH C21 10.52 39.34 69.16 15.00  25 INH N22 11.1& 38.50 70.20 15.00  25 INH C23 12.14 38.91 71.00 15.00  25 INH O24 12.59 40.07 70.97 15.00  25 INH C25 12.61 37.92 72.07 15.00  25 INH C26 11.69 38.19 73.25 15.00  25 INH C27 11.80 37.33 74.48 15.00  25 INH C28 12.06 35.90 74.03 15.00  25 INH C29 12.95 37.84 75.32 15.00  25 INH N30 14.03 38.09 72.47 15.00  25 INH C31 14.92 37.10 72.44 15.00  25 INH O32 14.63 35.96 72.06 15.00  25 INH C33 16.36 37.38 72.94 15.00  25 INH C34 17.21 36.17 73.26 15.00  25 INH C35 17.54 35.58 74.44 15.00  25 INH N36 18.35 34.51 74.16 15.00  25 INH C37 18.52 34.43 72.85 15.00  25 INH N38 17.85 35.42 72.28 15.00  26 TRP N 7.57 40.50 73.34 15.00  26 TRP CA 8.08 40.58 74.69 15.00  26 TRP CB 9.55 41.06 74.66 15.00  26 TRP CG 9.72 42.45 74.12 15.00  26 TRP CD2 9.74 43.67 74.85 15.00  26 TRP CE2 9.80 44.74 73.89 15.00  26 TRP CE3 9.72 43.99 76.22 15.00  26 TRP CD1 9.78 42.79 72.83 15.00  26 TRP NE1 9.82 44.15 72.67 15.00  26 TRP CZ2 9.83 46.10 74.25 15.00  26 TRP CZ3 9.75 45.31 76.58 15.00  26 TRP CH2 9.81 46.37 75.59 15.00  26 TRP C 7.21 41.51 75.60 15.00  26 TRP O 7.08 41.27 76.81 15.00  27 ALA N 6.58 42.54 75.01 15.00  27 ALA CA 5.77 43.48 75.79 15.00  27 ALA CB 5.51 44.71 74.96 15.00  27 ALA C 4.47 42.75 76.05 15.00  27 ALA O 3.88 42.85 71.12 15.00  28 PHE N 4.07 41.90 75.13 15.00  28 PHE CA 2.81 41.20 75.33 15.00  28 PHE CB 2.29 40.66 73.99 15.00  28 PHE CG 1.55 41.68 73.15 15.00  28 PHE CD1 2.23 42.39 72.20 15.00  28 PHE CD2 0.19 41.92 73.31 15.00  28 PHE CE1 1.57 43.34 71.43 15.00  28 PHE CE2 −0.46 42.87 72.55 15.00  28 PHE CZ 0.23 43.58 71.61 15.00  28 PHE C 2.87 40.12 76.46 15.00  28 PHE O 1.92 39.99 77.26 15.00  29 SER N 3.97 39.39 76.54 15.00  29 SER CA 4.16 38.37 77.55 15.00  29 SER CB 5.40 37.55 77.18 15.00  29 SER OG 5.72 36.66 78.21 15.00  29 SER C 4.28 38.96 78.94 15.00  29 SER O 3.68 38.47 79.91 15.00  30 SER N 5.04 40.05 79.02 15.00  30 SER CA 5.25 40.76 80.28 15.00  30 SER CB 6.13 41.95 80.06 15.00  30 SER OG 7.38 41.52 79.59 15.00  30 SER C 3.96 41.22 80.96 15.00  30 SER O 3.72 40.99 82.17 15.00  31 VAL N 3.13 41.85 80.14 15.00  31 VAL CA 1.83 42.35 80.51 15.00  31 VAL CB 1.33 43.26 79.35 15.00  31 VAL CG1 −0.15 43.27 79.23 15.00  31 VAL CG2 1.86 44.66 79.52 15.00  31 VAL C 0.91 41.16 80.90 15.00  31 VAL O 0.02 41.32 81.77 15.00  32 GLY N 1.16 39.98 80.31 15.00  32 GLY CA 0.35 38.81 80.61 15.00  32 GLY C 0.70 38.25 81.97 15.00  32 GLY O −0.17 37.79 82.70 15.00  33 ALA N 1.98 38.30 82.34 15.00  33 ALA CA 2.47 37.84 83.63 15.00  33 ALA CB 3.98 37.93 83.67 15.00  33 ALA C 1.84 38.86 84.60 15.00  33 ALA O 1.09 38.48 85.52 15.00  34 LEU N 2.09 40.15 84.37 15.00  34 LEU CA 1.54 41.22 85.20 15.00  34 LEU CB 1.88 42.56 84.56 15.00  34 LEU CG 3.30 43.17 84.66 15.00  34 LEU CD1 3.26 44.56 84.13 15.00  34 LEU CD2 3.76 43.24 86.11 15.00  34 LEU C 0.02 41.13 85.45 15.00  34 LEU O −0.47 41.28 86.60 15.00  35 GLU N −0.70 40.80 84.39 15.00  35 GLU CA −2.16 40.62 84.49 15.00  35 GLU CB −2.77 40.37 83.11 15.00  35 GLU CG −2.92 41.61 82.27 15.00  35 GLU CD −3.06 41.33 80.78 15.00  35 GLU OE1 −2.97 40.14 80.38 15.00  35 GLU OE2 −3.31 42.29 80.00 15.00  35 GLU C −2.60 39.51 85.47 15.00  35 GLU O −3.31 39.78 86.45 15.00  36 GLY N −2.11 38.29 85.24 15.00  36 GLY CA −2.42 37.14 86.06 15.00  36 GLY C −2.20 37.38 87.56 15.00  36 GLY O −2.96 36.89 88.40 15.00  37 GLN N −1.13 38.09 87.89 15.00  37 GLN CA −0.78 38.39 89.27 15.00  37 GLN CB 0.64 38.96 89.35 15.00  37 GLN CG 1.72 37.92 89.12 15.00  37 GLN CD 1.50 36.73 90.00 15.00  37 GLN OE1 1.69 36.81 91.20 15.00  37 GLN NE2 1.12 35.61 89.42 15.00  37 GLN C −1.78 39.38 89.83 15.00  37 GLN O −2.30 39.19 90.94 15.00  38 LEU N −2.10 40.38 89.02 15.00  38 LEU CA −3.04 41.41 89.38 15.00  38 LEU CB −3.28 42.29 88.15 15.00  38 LEU CG −4.10 43.56 88.33 15.00  38 LEU CD1 −3.72 44.25 89.66 15.00  38 LEU CD2 −3.95 44.48 87.16 15.00  38 LEU C −4.32 40.75 89.82 15.00  38 LEU O −4.90 41.05 90.86 15.00  39 LYS N −4.75 39.78 89.04 15.00  39 LYS CA −5.95 39.07 89.36 15.00  39 LYS CB −6.29 38.15 88.20 15.00  39 LYS CG −7.34 37.13 88.56 15.00  39 LYS CD −8.65 37.80 88.80 15.00  39 LYS CE −9.71 36.74 88.86 15.00  39 LYS NZ −10.82 37.33 89.61 15.00  39 LYS C −5.78 38.28 90.67 15.00  39 LYS O −6.62 38.34 91.53 15.00  40 LYS N −4.66 37.59 90.83 15.00  40 LYS CA −4.40 36.83 92.03 15.00  40 LYS CB −3.01 36.20 91.96 15.00  40 LYS CG −2.68 35.31 93.16 15.00  40 LYS CD −1.38 34.53 93.00 15.00  40 LYS CE −1.10 33.63 94.23 15.00  40 LYS NZ −0.27 32.41 93.89 15.00  40 LYS C −4.50 37.71 93.27 15.00  40 LYS O −5.26 37.42 94.20 15.00  41 LYS N −3.86 38.87 93.18 15.00  41 LYS CA −3.77 39.84 94.28 15.00  41 LYS CB −2.31 40.32 94.41 15.00  41 LYS CG −1.28 39.21 94.20 15.00  41 LYS CD −0.04 39.35 95.07 15.00  41 LYS CE 0.68 38.01 95.15 15.00  41 LYS NZ −0.14 36.86 95.66 15.00  41 LYS C −4.64 41.07 94.09 15.00  41 LYS O −4.15 42.18 94.26 15.00  42 THR N −5.91 40.88 93.78 15.00  42 THR CA −6.80 42.01 93.60 15.00  42 THR CB −6.50 42.75 92.28 15.00  42 THR OG1 −5.17 43.26 92.28 15.00  42 THR CG2 −7.48 43.85 92.07 15.00  42 THR C −8.22 41.47 93.50 15.00  42 THR O −9.17 42.02 94.07 15.00  43 GLY N −8.37 40.40 92.74 15.00  43 GLY CA −9.67 39.80 92.56 15.00  43 GLY C −10.28 40.20 91.22 15.00  43 GLY O −11.22 39.57 90.74 15.00  44 LYS N −9.65 41.19 90.58 15.00  44 LYS CA −10.13 41.70 89.32 15.00  44 LYS CB −10.71 43.10 89.52 15.00  44 LYS CG −11.95 43.16 90.39 15.00  44 LYS CD −12.36 44.57 90.76 15.00  44 LYS CE −11.43 45.21 91.78 15.00  44 LYS NZ −11.50 44.47 93.08 15.00  44 LYS C −9.02 41.76 88.30 15.00  44 LYS O −7.91 42.20 88.61 15.00  45 LEU N −9.35 41.40 87.07 15.00  45 LEU CA −8.38 41.39 85.99 15.00  45 LEU CB −8.61 40.14 85.13 15.00  45 LEU CG −7.85 39.77 83.85 15.00  45 LEU CD1 −6.47 39.23 84.16 15.00  45 LEU CD2 −8.67 38.72 83.14 15.00  45 LEU C −8.55 42.68 85.16 15.00  45 LEU O −9.55 43.36 85.27 15.00  46 LEU N −7.57 43.04 84.37 15.00  46 LEU CA −7.65 44.23 83.55 15.00  46 LEU CB −7.27 45.46 84.35 15.00  46 LEU CG −7.82 46.76 83.83 15.00  46 LEU CD1 −9.28 46.67 83.92 15.00  46 LEU CD2 −7.33 47.91 84.71 15.00  46 LEU C −6.63 44.03 82.45 15.00  46 LEU O −5.67 43.30 82.61 15.00  47 ASN N −6.80 44.76 81.36 15.00  47 ASN CA −5.90 44.66 80.25 15.00  47 ASN CB −6.61 45.08 78.95 15.00  47 ASN CG −7.47 43.98 78.39 15.00  47 ASN OD1 −7.52 42.88 78.93 15.00  47 ASN ND2 −8.19 44.28 77.33 15.00  47 ASN C −4.77 45.63 80.52 15.00  47 ASN O −5.02 46.82 80.64 15.00  48 LEU N −3.54 45.17 80.66 15.00  48 LEU CA −2.44 46.13 80.87 15.00  48 LEU CB −1.29 45.54 81.75 15.00  48 LEU CG −1.76 45.23 83.19 15.00  48 LEU CD1 −0.62 44.99 84.10 15.00  48 LEU CD2 −2.69 46.29 83.75 15.00  48 LEU C −1.96 46.66 79.51 15.00  48 LEU O −2.40 46.14 78.46 15.00  49 SER N −1.12 47.70 79.52 15.00  49 SER CA −0.63 48.29 78.28 15.00  49 SER CB −0.70 49.82 78.41 15.00  49 SER OG 0.06 50.46 77.43 15.00  49 SER C 0.75 47.87 77.84 15.00  49 SER O 1.75 48.29 78.43 15.00  50 PRO N 0.81 47.08 76.75 15.00  50 PRO CD −0.34 46.48 76.03 15.00  50 PRO CA 2.10 46.61 76.22 15.00  50 PRO CB 1.68 45.45 75.34 15.00  50 PRO CG 0.33 45.96 74.79 15.00  50 PRO C 2.77 47.79 75.45 15.00  50 PRO O 3.99 47.96 75.47 15.00  51 GLN N 1.96 48.67 74.86 15.00  51 GLN CA 2.48 49.87 74.18 15.00  51 GLN CB 1.37 50.77 73.66 15.00  51 GLN CG 2.00 51.92 72.85 15.00  51 GLN CD 2.33 51.51 71.46 15.00  51 GLN OE1 1.83 50.49 70.97 15.00  51 GLN NE2 3.19 52.26 70.81 15.00  51 GLN C 3.29 50.70 75.17 15.00  51 GLN O 4.21 51.38 74.79 15.00  52 ASN N 2.93 50.65 76.45 15.00  52 ASN CA 3.62 51.40 77.47 15.00  52 ASN CB 2.96 51.15 78.82 15.00  52 ASN CG 3.52 52.04 79.91 15.00  52 ASN OD1 4.31 52.93 79.64 15.00  52 ASN ND2 3.09 51.81 81.14 15.00  52 ASN C 5.04 50.91 77.52 15.00  52 ASN O 5.98 51.71 77.54 15.00  53 LEU N 5.19 49.60 77.57 15.00  53 LEU CA 6.53 49.05 77.64 15.00  53 LEU CB 6.40 47.59 77.98 15.00  53 LEU CG 5.80 47.51 79.34 15.00  53 LEU CD1 5.66 46.07 79.79 15.00  53 LEU CD2 6.65 48.34 80.33 15.00  53 LEU C 7.25 49.26 76.30 15.00  53 LEU O 8.43 49.52 76.27 15.00  54 VAL N 6.53 49.17 75.19 15.00  54 VAL CA 7.19 49.34 73.89 15.00  54 VAL CB 6.25 49.16 72.69 15.00  54 VAL CG1 6.98 49.50 71.41 15.00  54 VAL CG2 5.83 47.75 72.63 15.00  54 VAL C 7.89 50.66 73.74 15.00  54 VAL O 9.06 50.71 73.32 15.00  55 ASP N 7.28 51.70 74.27 15.00  55 ASP CA 7.87 53.05 74.15 15.00  55 ASP CB 6.76 54.08 73.93 15.00  55 ASP CG 5.70 53.58 72.94 15.00  55 ASP OD1 5.95 52.76 72.00 15.00  55 ASP OD2 4.60 54.09 73.02 15.00  55 ASP C 8.68 53.42 75.33 15.00  55 ASP O 9.58 54.23 75.23 15.00  56 CYS N 8.38 52.90 76.50 15.00  56 CYS CA 9.13 53.37 77.67 15.00  56 CYS C 10.33 52.59 78.21 15.00  56 CYS O 11.25 53.15 78.82 15.00  56 CYS CB 8.16 53.80 78.81 15.00  56 CYS SG 6.73 54.73 78.24 15.00  57 VAL N 10.39 51.31 77.97 15.00  57 VAL CA 11.49 50.47 78.46 15.00  57 VAL CB 11.10 48.99 78.38 15.00  57 VAL CG1 12.15 48.16 78.95 15.00  57 VAL CG2 9.83 48.77 79.11 15.00  57 VAL C 12.66 50.67 77.55 15.00  57 VAL O 12.94 49.87 76.66 15.00  58 SER N 13.40 51.73 77.79 15.00  58 SER CA 14.54 52.04 76.91 15.00  58 SER CB 15.13 53.44 77.26 15.00  58 SER OG 15.02 53.68 78.65 15.00  58 SER C 15.61 50.98 76.86 15.00  58 SER O 16.39 50.92 75.91 15.00  59 GLU N 15.66 50.15 77.91 15.00  59 GLU CA 16.66 49.07 78.00 15.00  59 GLU CB 16.59 48.34 79.35 15.00  59 GLU CG 16.98 49.19 80.58 15.00  59 GLU CD 15.98 50.33 80.88 15.00  59 GLU OE1 14.75 50.10 80.81 15.00  59 GLU OE2 16.46 51.46 81.17 15.00  59 GLU C 16.48 48.04 76.89 15.00  59 GLU O 17.36 47.20 76.67 15.00  60 ASN N 15.31 48.07 76.27 15.00  60 ASN CA 15.00 47.16 75.19 15.00  60 ASN CB 13.64 46.51 75.47 15.00  60 ASN CG 13.69 45.49 76.59 15.00  60 ASN OD1 12.76 45.39 77.36 15.00  60 ASN ND2 14.76 44.68 76.63 15.00  60 ASN C 14.98 47.89 73.85 15.00  60 ASN O 15.26 49.09 73.79 15.00  61 ASP N 14.67 47.16 72.79 15.00  61 ASP CA 14.64 47.72 71.44 15.00  61 ASP CB 15.38 46.80 70.48 15.00  61 ASP CG 16.10 47.57 69.36 15.00  61 ASP OD1 16.04 48.81 69.34 15.00  61 ASP OD2 16.76 46.92 68.52 15.00  61 ASP C 13.28 48.07 70.81 15.00  61 ASP O 13.13 48.13 69.60 15.00  62 GLY N 12.31 48.40 71.63 15.00  62 GLY CA 10.98 48.67 71.11 15.00  62 GLY C 10.49 47.51 70.24 15.00  62 GLY O 10.64 46.38 70.57 15.00  63 CYS N 9.98 47.80 69.05 15.00  63 CYS CA 9.47 46.79 68.11 15.00  63 CYS C 10.61 45.95 67.62 15.00  63 CYS O 10.41 45.05 66.81 15.00  63 CYS CB 8.71 47.45 66.95 15.00  63 CYS SG 7.16 48.19 67.39 15.00  64 GLY N 11.82 46.25 68.06 15.00  64 GLY CA 12.94 45.47 67.59 15.00  64 GLY C 13.32 44.36 68.55 15.00  64 GLY O 14.37 43.74 68.40 15.00  65 GLY N 12.48 44.12 69.55 15.00  65 GLY CA 12.76 43.06 70.49 15.00  65 GLY C 13.11 43.58 71.88 15.00  65 GLY O 13.33 44.80 72.13 15.00  66 GLY N 13.21 42.63 72.80 15.00  66 GLY CA 13.50 43.00 74.18 15.00  66 GLY C 13.34 41.82 75.15 15.00  66 GLY O 12.91 40.73 74.72 15.00  67 TYR N 13.65 42.02 76.42 15.00  67 TYR CA 13.55 40.94 77.37 15.00  67 TYR CB 14.85 40.83 78.19 15.00  67 TYR CG 16.13 40.41 77.42 15.00  67 TYR CD1 16.31 39.16 76.96 15.00  67 TYR CE1 17.51 38.78 76.29 15.00  67 TYR CD2 17.13 41.25 77.20 15.00  67 TYR CE2 18.32 40.83 76.53 15.00  67 TYR CZ 18.49 39.61 76.08 15.00  67 TYR OH 19.63 39.12 75.47 15.00  67 TYR C 12.41 41.24 78.31 15.00  67 TYR O 12.00 42.40 78.46 15.00  68 MET N 11.84 40.20 78.88 15.00  68 MET CA 10.72 40.40 79.78 15.00  68 MET CB 10.01 39.09 80.00 15.00  68 MET CG 9.14 38.63 78.85 15.00  68 MET SD 10.15 37.92 77.61 15.00  68 MET CE 10.37 36.10 78.19 15.00  68 MET C 11.20 41.05 81.10 15.00  68 MET O 10.55 41.92 81.68 15.00  69 THR N 12.33 40.56 81.59 15.00  69 THR CA 12.91 41.02 82.85 15.00  69 THR CB 14.24 40.26 83.21 15.00  69 THR OG1 15.16 40.38 82.12 15.00  69 THR CG2 13.99 38.77 83.56 15.00  69 THR C 13.15 42.55 82.80 15.00  69 THR O 13.15 43.20 83.83 15.00  70 ASN N 13.42 43.10 81.63 15.00  70 ASN CA 13.61 44.55 81.51 15.00  70 ASN CB 14.23 44.95 80.15 15.00  70 ASN CG 15.73 44.64 80.08 15.00  70 ASN OD1 16.28 44.44 78.98 15.00  70 ASN ND2 16.41 44.61 81.22 15.00  70 ASN C 12.27 45.27 81.66 15.00  70 ASN O 12.24 46.42 82.08 15.00  71 ALA N 11.20 44.62 81.19 15.00  71 ALA CA 9.84 45.13 81.24 15.00  71 ALA CB 8.96 44.17 80.50 15.00  71 ALA C 9.39 45.23 82.69 15.00  71 ALA O 8.79 46.23 83.13 15.00  72 PHE N 9.72 44.17 83.43 15.00  72 PHE CA 9.39 44.09 84.87 15.00  72 PHE CB 9.67 42.66 85.39 15.00  72 PHE CG 8.80 41.59 84.75 15.00  72 PHE CD1 7.52 41.87 84.33 15.00  72 PHE CD2 9.28 40.32 84.57 15.00  72 PHE CE1 6.73 40.91 83.73 15.00  72 PHE CE2 8.50 39.35 83.98 15.00  72 PHE CZ 7.23 39.64 83.56 15.00  72 PHE C 10.19 45.09 85.71 15.00  72 PHE O 9.73 45.60 86.72 15.00  73 GLN N 11.41 45.38 85.28 15.00  73 GLN CA 12.27 46.36 85.97 15.00  73 GLN CB 13.74 46.30 85.47 15.00  73 GLN CG 14.74 46.94 86.38 15.00  73 GLN CD 14.58 46.42 87.78 15.00  73 GLN OE1 14.18 45.26 87.96 15.00  73 GLN NE2 14.76 47.28 88.79 15.00  73 GLN C 11.74 47.79 85.84 15.00  73 GLN O 11.83 48.57 86.78 15.00  74 TYR N 11.23 48.14 84.67 15.00  74 TYR CA 10.67 49.45 84.41 15.00  74 TYR CB 10.48 49.62 82.93 15.00  74 TYR CG 9.52 50.72 82.59 15.00  74 TYR CD1 9.90 51.97 82.44 15.00  74 TYR CE1 8.98 53.00 82.06 15.00  74 TYR CD2 8.25 50.50 82.38 15.00  74 TYR CE2 7.39 51.55 82.01 15.00  74 TYR CZ 7.74 52.77 81.85 15.00  74 TYR OH 6.87 53.67 81.39 15.00  74 TYR C 9.35 49.64 85.16 15.00  74 TYR O 9.04 50.74 85.58 15.00  75 VAL N 8.60 48.58 85.39 15.00  75 VAL CA 7.35 48.70 86.13 15.00  75 VAL CB 6.46 47.47 85.92 15.00  75 VAL CG1 5.15 47.64 86.74 15.00  75 VAL CG2 6.10 47.32 84.44 15.00  75 VAL C 7.63 48.95 87.62 15.00  75 VAL O 6.92 49.76 88.26 15.00  76 GLN N 8.69 48.31 88.13 15.00  76 GLN CA 9.12 48.47 89.51 15.00  76 GLN CB 10.10 47.35 89.89 15.00  76 GLN CG 10.55 47.31 91.38 15.00  76 GLN CD 11.76 46.4r 91.65 15.00  76 GLN OE1 12.14 46.22 92.80 15.00  76 GLN NE2 12.37 45.85 90.59 15.00  76 GLN C 9.78 49.88 89.59 15.00  76 GLN O 9.37 50.72 90.39 15.00  77 LYS N 10.72 50.19 88.69 15.00  77 LYS CA 11.40 51.49 88.72 15.00  77 LYS CB 12.56 51.50 87.72 15.00  77 LYS CG 13.20 52.85 87.44 15.00  77 LYS CD 14.22 52.70 86.33 15.00  77 LYS CE 15.18 51.56 86.62 15.00  77 LYS NZ 16.20 51.34 85.56 15.00  77 LYS C 10.51 52.71 88.55 15.00  77 LYS O 10.73 53.76 89.17 15.00  78 ASN N 9.50 52.55 87.70 15.00  78 ASN CA 8.51 53.59 87.37 15.00  78 ASN CB 7.84 53.25 86.04 15.00  78 ASN CG 7.15 54.42 85.42 15.00  78 ASN OD1 7.70 55.49 85.36 15.00  78 ASN ND2 5.93 54.22 84.95 15.00  78 ASN C 7.44 53.69 88.42 15.00  78 ASN O 6.89 54.77 88.64 15.00  79 ARG N 7.15 52.56 89.05 15.00  79 ARG CA 6.14 52.48 90.08 15.00  79 ARG CB 6.27 53.65 91.07 15.00  79 ARG CG 7.58 53.69 91.85 15.00  79 ARG CD 7.76 55.00 92.63 15.00  79 ARG NE 6.66 55.34 93.55 15.00  79 ARG CZ 6.30 54.65 94.63 15.00  79 ARG NH1 6.95 53.54 94.96 15.00  79 ARG NH2 5.21 55.01 95.31 15.00  79 ARG C 4.77 52.46 89.43 15.00  79 ARG O 3.80 52.99 90.00 15.00  80 GLY N 4.66 51.78 88.30 15.00  80 GLY CA 3.39 51.70 87.64 15.00  80 GLY C 3.39 51.50 86.16 15.00  80 GLY O 4.32 51.90 85.43 15.00  81 ILE N 2.30 50.87 85.73 15.00  81 ILE CA 2.03 50.55 84.34 15.00  81 ILE CB 2.38 49.06 83.98 15.00  81 ILE CG2 1.41 48.10 84.64 15.00  81 ILE CG1 2.48 48.88 82.46 15.00  81 ILE CD1 2.67 47.47 82.00 15.00  81 ILE C 0.57 50.92 84.01 15.00  81 ILE O −0.33 50.73 84.82 15.00  82 ASP N 0.35 51.53 82.85 15.00  82 ASP CA −1.01 51.93 82.43 15.00  82 ASP CB −0.91 52.93 81.27 15.00  82 ASP CG −0.45 54.32 81.71 15.00  82 ASP OD1 0.52 54.88 81.14 15.00  82 ASP OD2 −1.08 54.84 82.64 15.00  82 ASP C −1.87 50.76 82.00 15.00  82 ASP O −1.39 49.64 81.87 15.00  83 SER N −3.16 51.03 81.87 15.00  83 SER CA −4.11 50.02 81.42 15.00  83 SER CB −5.54 50.23 82.00 15.00  83 SER OG −5.97 51.58 81.87 15.00  83 SER C −4.14 50.20 79.91 15.00  83 SER O −3.48 51.11 79.34 15.00  84 GLU N −4.79 49.26 79.24 15.00  84 GLU CA −4.92 49.33 77.79 15.00  84 GLU CB −5.77 48.16 77.25 15.00  84 GLU CG −5.57 47.95 75.77 15.00  84 GLU CD −4.09 47.91 75.42 15.00  84 GLU OE1 −3.52 48.88 74.89 15.00  84 GLU OE2 −3.46 46.90 75.73 15.00  84 GLU C −5.65 50.62 77.45 15.00  84 GLU O −5.13 51.48 76.76 15.00  85 ASP N −6.84 50.77 78.03 15.00  85 ASP CA −7.68 51.96 77.78 15.00  85 ASP CB −9.03 51.85 78.51 15.00  85 ASP CG −9.94 53.12 78.30 15.00  85 ASP OD1 −10.32 53.78 79.30 15.00  85 ASP OD2 −10.26 53.46 77.15 15.00  85 ASP C −7.01 53.27 78.08 15.00  85 ASP O −7.29 54.29 77.43 15.00  86 ALA N −6.11 53.26 79.05 15.00  86 ALA CA −5.41 54.47 79.38 15.00  86 ALA CB −4.88 54.38 80.80 15.00  86 ALA C −4.27 54.73 78.39 15.00  86 ALA O −4.00 55.89 78.07 15.00  87 TYR N −3.69 53.66 77.83 15.00  87 TYR CA −2.57 53.78 76.88 15.00  87 TYR CB −1.24 53.68 77.66 15.00  87 TYR CG 0.04 54.14 77.00 15.00  87 TYR CD1 0.10 54.44 75.56 15.00  87 TYR CE1 1.32 54.83 74.98 15.00  87 TYR CD2 1.21 54.26 77.84 15.00  87 TYR CE2 2.42 54.65 77.33 15.00  87 TYR CZ 2.49 54.94 75.86 15.00  87 TYR OH 3.71 55.29 75.29 15.00  87 TYR C −2.68 52.66 75.83 15.00  87 TYR O −2.00 51.63 75.92 15.00  88 PRO N −3.51 52.90 74.79 15.00  88 PRO CD −4.53 53.97 74.75 15.00  88 PRO CA −3.75 51.94 73.71 15.00  88 PRO CB −4.87 52.62 72.90 15.00  88 PRO CG −5.64 53.31 73.98 15.00  88 PRO C −2.52 51.62 72.84 15.00  88 PRO O −1.59 52.42 72.70 15.00  89 TYR N −2.58 50.42 72.24 15.00  89 TYR CA −1.54 49.87 71.38 15.00  89 TYR CB −1.64 48.34 71.47 15.00  89 TYR CG −0.54 47.59 70.84 15.00  89 TYR CD1 0.79 47.78 71.31 15.00  89 TYR CE1 1.83 47.13 70.72 15.00  89 TYR CD2 −0.80 46.69 69.76 15.00  89 TYR CE2 0.20 46.03 69.15 15.00  89 TYR CZ 1.53 46.24 69.61 15.00  89 TYR OH 2.55 45.63 68.93 15.00  89 TYR C −1.73 50.30 69.92 15.00  89 TYR O −2.81 50.16 69.38 15.00  90 VAL N −0.65 50.73 69.28 15.00  90 VAL CA −0.69 51.22 67.88 15.00  90 VAL CB −0.15 52.67 67.77 15.00  90 VAL CG1 −0.81 53.58 68.80 15.00  90 VAL CG2 1.34 52.68 67.96 15.00  90 VAL C 0.11 50.36 66.90 15.00  90 VAL O −0.09 50.40 65.68 15.00  91 GLY N 1.05 49.58 67.43 15.00  91 GLY CA 1.85 48.75 66.55 15.00  91 GLY C 3.14 49.42 66.11 15.00  91 GLY O 3.81 48.92 65.19 15.00  92 GLN N 3.51 50.52 66.75 15.00  92 GLN CA 4.75 51.17 66.39 15.00  92 GLN CB 4.53 52.11 65.23 15.00  92 GLN CG 3.31 52.97 65.48 15.00  92 GLN CD 3.44 54.31 64.81 15.00  92 GLN OE1 2.68 54.64 63.92 15.00  92 GLN NE2 4.41 55.10 65.25 15.00  92 GLN C 5.34 51.97 67.53 15.00  92 GLN O 4.72 52.25 68.53 15.00  93 GLU N 6.57 52.40 67.30 15.00  93 GLU CA 7.33 53.20 68.25 15.00  93 GLU CB 8.81 53.08 67.91 15.00  93 GLU CG 9.33 51.65 68.15 15.00  93 GLU CD 10.59 51.29 67.38 15.00  93 GLU OE1 10.87 51.94 66.34 15.00  93 GLU OE2 11.31 50.35 67.80 15.00  93 GLU C 6.85 54.66 68.26 15.00  93 GLU O 6.48 55.24 67.24 15.00  94 GLU N 6.79 55.20 69.46 15.00  94 GLU CA 6.36 56.56 69.67 15.00  94 GLU CB 4.83 56.70 69.62 15.00  94 GLU CG 4.07 55.48 70.04 15.00  94 GLU CD 2.76 55.78 70.70 15.00  94 GLU OE1 1.99 56.60 70.14 15.00  94 GLU OE2 2.51 55.26 71.81 15.00  94 GLU C 6.86 56.98 71.01 15.00  94 GLU O 7.15 56.12 71.84 15.00  95 SER N 6.98 58.29 71.23 15.00  95 SER CA 7.47 58.78 72.52 15.00  95 SER CB 7.26 6.0.29 72.63 15.00  95 SER CG 6.14 60.73 71.85 15.00  95 SER C 6.78 58.06 73.70 15.00  95 SER O 5.61 57.59 73.59 15.00  96 CYS N 7.52 57.90 74.80 15.00  96 CYS CA 6.93 57.30 75.96 15.00  96 CYS C 5.80 58.23 76.33 15.00  96 CYS O 6.00 59.44 76.37 15.00  96 CYS CB 7.95 57.27 77.09 15.00  96 CYS SG 7.32 56.63 78.67 15.00  97 MET N 4.58 57.73 76.42 15.00  97 MET CA 3.46 58.59 76.84 15.00  97 MET CB 2.40 5&.64 75.75 15.00  97 MET CG 2.95 58.79 74.35 15.00  97 MET SD 1.74 59.21 73.09 15.00  97 MET CE 0.27 58.48 73.83 15.00  97 MET C 2.79 58.10 78.14 15.00  97 MET O 1.57 58.06 78.24 15.00  98 TYR N 3.59 57.79 79.15 15.00  98 TYR CA 3.09 57.31 80.45 15.00  98 TYR CB 4.25 56.91 81.37 15.00  98 TYR CG 3.71 56.31 82.64 15.00  98 TYR CD1 2.99 55.13 82.59 15.00  98 TYR CE1 2.42 54.60 83.75 15.00  98 TYR CD2 3.86 56.96 83.88 15.00  98 TYR CE2 3.30 56.45 85.03 15.00  98 TYR CZ 2.59 55.27 84.95 15.00  98 .TYR OH 1.99 54.70 86.05 15.00  98 TYR C 2.17 58.29 81.19 15.00  98 TYR O 2.56 59.42 81.48 15.00  99 ASN N 0.97 57.85 81.49 15.00  99 ASN CA −0.01 58.66 82.21 15.00  99 ASN CB −1.39 58.64 81.52 15.00  99 ASN CG −2.41 59.49 82.25 15.00  99 ASN OD1 −2.15 59.98 83.35 15.00  99 ASN ND2 −3.60 59.65 81.65 15.00  99 ASN C −0.17 58.09 83.63 15.00  99 ASN O −0.87 57.05 83.81 15.00 100 PRO N 0.31 58.85 84.66 15.00 100 PRO CD 0.81 60.23 84.63 15.00 100 PRO CA 0.20 58.38 86.04 15.00 100 PRO CB 0.80 59.53 86.83 15.00 100 PRO CG 1.64 60.28 85.79 15.00 100 PRO C −1.25 58.14 86.50 15.00 100 PRO O −1.49 57.37 87.41 15.00 101 THR N −2.22 58.73 85.82 15.00 101 THR CA −3.61 58.53 86.23 15.00 101 THR CB −4.58 59.63 85.74 15.00 101 THR OG1 −5.12 59.28 84.45 15.00 101 THR CG2 −3.91 60.96 85.67 15.00 101 THR C −4.09 57.21 85.69 15.00 101 THR O −5.05 56.64 86.24 15.00 102 GLY N −3.50 56.77 84.58 15.00 102 GLY CA −3.90 55.51 83.98 15.00 102 GLY C −3.31 54.30 84.66 15.00 102 GLY O −3.63 53.16 84.25 15.00 103 LYS N −2.50 54.52 85.70 15.00 103 LYS CA −1.87 53.41 86.40 15.00 103 LYS CB −1.06 53.93 87.58 15.00 103 LYS CG −0.26 52.86 88.29 15.00 103 LYS CD −0.09 53.20 89.77 15.00 103 LYS CE −1.41 52.95 90.56 15.00 103 LYS NZ −1.62 51.48 90.82 15.00 103 LYS C −2.90 52.38 86.85 15.00 103 LYS O −3.84 52.70 87.56 15.00 104 ALA N −2.70 51.13 86.45 15.00 104 ALA CA −3.60 50.03 86.82 15.00 104 ALA CB −4.23 49.45 85.59 15.00 104 ALA C −2.81 48.95 87.53 15.00 104 ALA O −3.37 48.03 88.10 15.00 105 ALA N −1.49 49.07 87.52 15.00 105 ALA CA −0.72 48.05 88.20 15.00 105 ALA CB −0.65 46.80 87.34 15.00 105 ALA C 0.66 48.46 88.70 15.00 105 ALA O 1.21 49.47 88.26 15.00 106 LYS N 1.18 47.64 89.63 15.00 106 LYS CA 2.49 47.81 90.27 15.00 106 LYS CB 2.33 48.37 91.70 15.00 106 LYS CG 1.94 49.82 91.78 15.00 106 LYS CD 2.39 50.49 93.08 15.00 106 LYS CE 3.90 50.73 93.15 15.00 106 LYS NZ 4.68 49.45 93.03 15.00 106 LYS C 3.31 46.52 90.33 15.00 106 LYS O 2.78 45.42 90.25 15.00 107 CYS N 4.58 46.66 90.67 15.00 107 CYS CA 5.44 45.50 90.73 15.00 107 CYS CB 5.96 45.28 89.31 15.00 107 CYS SG 7.11 43.91 89.12 15.00 107 CYS C 6.58 45.74 91.71 15.00 107 CYS O 7.13 46.84 91.75 15.00 108 ARG N 6.93 44.73 92.50 15.00 108 ARG CA 8.03 44.94 93.42 15.00 108 ARG CB 7.57 44.79 94.87 15.00 108 ARG CG 7.03 43.41 95.26 15.00 108 ARG CD 6.66 43.37 96.77 15.00 108 ARG NE 6.16 42.05 97.15 15.00 108 ARG CZ 6.83 40.90 96.99 15.00 108 ARG NH1 8.05 40.88 96.47 15.00 108 ARG NH2 6.25 39.76 97.31 15.00 108 ARG C 9.24 44.06 93.14 15.00 108 ARG O 9.94 43.63 94.07 15.00 109 GLY N 9.47 43.78 91.85 15.00 109 GLY CA 10.58 42.92 91.49 15.00 109 GLY C 10.15 41.85 90.50 15.00 109 GLY O 9.05 41.91 89.95 15.00 110 TYR N 10.97 40.81 90.37 15.00 110 TYR CA 10.68 39.71 89.47 15.00 110 TYR CB 10.79 40.15 88.01 15.00 110 TYR CG 12.20 40.50 87.61 15.00 110 TYR CD1 12.66 41.85 87.79 15.00 110 TYR CE1 13.95 42.21 87.41 15.00 110 TYR CD2 13.08 39.49 87.02 15.00 110 TYR CE2 14.35 39.80 86.64 15.00 110 TYR CZ 14.80 41.19 86.83 15.00 110 TYR OH 16.07 41.57 86.47 15.00 110 TYR C 11.67 38.57 89.72 15.00 110 TYR O 12.72 38.78 90.34 15.00 111 ARG N 11.36 37.37 89.26 15.00 111 ARG CA 12.26 36.23 89.43 15.00 111 ARG CB 11.86 35.41 90.67 15.00 111 ARG CG 11.78 36.26 91.34 15.00 111 ARG CD 12.04 35.36 93.15 15.00 111 ARG NE 13.43 34.92 93.18 15.00 111 ARG CZ 13.89 33.89 93.89 15.00 111 ARG NH1 15.19 33.60 93.83 15.00 111 ARG NH2 13.04 33.14 94.59 15.00 111 ARG C 12.24 35.31 88.24 15.00 111 ARG O 11.17 35.05 87.66 15.00 112 GLU N 13.43 34.83 87.90 15.00 112 GLU CA 13.63 33.90 86.82 15.00 112 GLU CB 15.09 33.97 86.40 15.00 112 GLU CG 15.46 35.25 85.64 15.00 112 GLU CD 15.38 35.07 84.12 15.00 112 GLU OE1 14.25 35.12 83.56 15.00 112 GLU OE2 16.47 34.88 83.50 15.00 112 GLU C 13.36 32.48 87.30 15.00 112 GLU O 13.00 32.27 88.44 15.00 113 ILE N 13.55 31.53 86.41 15.00 113 ILE CA 13.36 30.12 86.72 15.00 113 ILE CB 12.20 29.54 85.92 15.00 113 ILE CG2 12.22 28.02 85.90 15.00 113 ILE CG1 10.91 30.06 86.51 15.00 113 ILE CD1 9.69 29.82 85.68 15.00 113 ILE C 14.68 29.49 86.33 15.00 113 ILE O 15.33 29.97 85.44 15.00 114 PRO N 15.20 28.55 87.13 15.00 114 PRO CD 14.60 28.07 88.38 15.00 114 PRO CA 16.49 27.87 86.88 15.00 114 PRO CB 16.38 26.62 87.77 15.00 114 PRO CG 15.73 27.17 88.97 15.00 114 PRO C 16.69 27.54 85.40 15.00 114 PRO O 15.93 26.78 84.83 15.00 115 GLU N 17.71 28.13 84.80 15.00 115 GLU CA 18.03 28.00 83.38 15.00 115 GLU CB 19.41 28.59 83.11 15.00 115 GLU CG 19.58 29.05 81.64 15.00 115 GLU CD 20.85 29.87 81.42 15.00 115 GLU OE1 20.80 31.11 81.48 15.00 115 GLU OE2 21.91 29.28 81.19 15.00 115 GLU C 17.96 26.62 82.77 15.00 115 GLU O 18.99 25.96 82.65 15.00 116 GLY N 16.78 26.24 82.28 15.00 116 GLY CA 16.64 24.93 81.66 15.00 116 GLY C 15.95 23.89 82.52 15.00 116 GLY O 15.82 22.73 82.13 15.00 117 ASN N 15.49 24.30 83.70 15.00 117 ASN CA 14.84 23.38 84.61 15.00 117 ASN CB 15.29 23.66 86.03 15.00 117 ASN CG 14.55 22.85 87.06 15.00 117 ASN OD1 13.47 22.36 86.81 15.00 117 ASN ND2 15.14 22.73 88.25 15.00 117 ASN C 13.34 23.50 84.47 15.00 117 ASN O 12.71 24.37 85.05 15.00 118 GLU N 12.78 22.55 83.74 15.00 118 GLU CA 11.35 22.52 83.45 15.00 118 GLU CB 11.10 21.52 82.33 15.00 118 GLU CG 10.04 21.91 81.37 15.00 118 GLU CD 9.94 20.95 80.16 15.00 118 GLU OE1 8.82 20.50 79.88 15.00 118 GLU OE2 10.96 20.58 79.52 15.00 118 GLU C 10.45 22.18 84.64 15.00 118 GLU O 9.30 22.61 84.67 15.00 119 LYS N 10.97 21.46 85.63 15.00 119 LYS CA 10.15 21.13 86.77 15.00 119 LYS CB 10.74 19.95 87.52 15.00 119 LYS CG 9.69 19.04 88.07 15.00 119 LYS CD 8.84 18.47 86.94 15.00 119 LYS CE 7.78 17:54 87.45 15.00 119 LYS NZ 7.03 17.08 86.28 15.00 119 LYS C 10.02 22.33 87.69 15.00 119 LYS O 9.02 22.45 88.42 15.00 120 ALA N 11.01 23.22 87.66 15.00 120 ALA CA 10.99 24.43 88.48 15.00 120 ALA CB 12.36 25.05 88.46 15.00 120 ALA C 9.95 25.39 87.87 15.00 120 ALA O 9.39 26.27 88.57 15.00 121 LEU N 9.79 25.27 86.55 15.00 121 LEU CA 8.83 26.05 85.78 15.00 121 LEU CB 9.06 25.87 84.28 15.00 121 LEU CG 8.06 26.54 83.31 15.00 121 LEU CD1 8.05 28.02 83.54 15.00 121 LEU CD2 8.42 26.24 81.90 15.00 121 LEU C 7.43 25.59 86.13 15.00 121 LEU O 6.59 26.43 86.46 15.00 122 LYS N 7.17 24.28 86.10 15.00 122 LYS CA 5.83 23.74 86.40 15.00 122 LYS CB 5.81 22.20 86.25 15.00 122 LYS CG 4.49 21.54 86.59 15.00 122 LYS CD 4.61 20.10 86.92 15.00 122 LYS CE 5.26 19.90 88.29 15.00 122 LYS NZ 5.14 18.48 88.78 15.00 122 LYS C 5.34 24.13 87.78 15.00 122 LYS O 4.13 24.20 87.99 15.00 123 ARG N 6.27 24.36 88.71 15.00 123 ARG CA 5.90 24.16 90.06 15.00 123 ARG CB 6.95 24.36 91.07 15.00 123 ARG CG 7.05 22.94 91.45 15.00 123 ARG CD 8.15 22.86 92.43 15.00 123 ARG NE 9.44 23.25 91.82 15.00 123 ARG CZ 10.56 23.53 92.50 15.00 123 ARG NH1 10.58 23.50 93.81 15.00 123 ARG NH2 11.71 23.76 91.85 15.00 123 ARG C 5.71 26.25 90.17 15.00 123 ARG O 5.12 26.72 91.13 15.00 124 ALA N 6.31 27.00 89.25 15.00 124 ALA CA 6.16 28.42 89.30 15.00 124 ALA CB 7.22 29.12 88.43 15.00 124 ALA C 4.78 28.73 88.81 15.00 124 ALA O 4.06 29.46 89.47 15.00 125 VAL N 4.37 28.09 87.72 15.00 125 VAL CA 3.06 28.41 87.21 15.00 125 VAL CB 2.82 27.94 85.72 15.00 125 VAL CG1 4.09 27.54 85.00 15.00 125 VAL CG2 1.70 26.88 85.60 15.00 125 VAL C 2.03 27.82 88.15 15.00 125 VAL O 0.89 28.28 88.17 15.00 126 ALA N 2.42 26.86 88.98 15.00 126 ALA CA 1.47 26.25 89.89 15.00 126 ALA CB 1.94 24.91 90.29 15.00 126 ALA C 1.32 27.11 91.12 15.00 126 ALA O 0.22 27.27 91.63 15.00 127 ARG N 2.42 27.71 91.55 15.00 127 ARG CA 2.42 28.50 92.77 15.00 127 ARG CB 3.67 28.22 93.60 15.00 127 ARG CG 3.74 26.79 94.07 15.00 127 ARG CD 5.07 26.45 94.67 15.00 127 ARG NE 5.02 25.01 94.96 15.00 127 ARG CZ 6.03 24.24 95.34 15.00 127 ARG NH1 5.84 22.94 95.55 15.00 127 ARG NH2 7.24 24.73 95.54 15.00 127 ARG C 2.30 29.98 92.61 15.00 127 ARG O 2.15 30.68 93.60 15.00 128 VAL N 2.46 30.47 91.38 15.00 128 VAL CA 2.37 31.91 91.11 15.00 128 VAL CB 3.70 32.49 90.59 15.00 128 VAL CG1 3.62 33.98 90.47 15.00 128 VAL CG2 4.87 32.10 91.53 15.00 128 VAL C 1.29 32.25 90.10 15.00 128 VAL O 0.47 33.10 90.36 15.00 129 GLY N 1.30 31.60 88.94 15.00 129 GLY CA 0.31 31.85 87.91 15.00 129 GLY C 1.10 32.00 86.61 15.00 129 GLY O 2.27 31.60 86.57 15.00 130 PRO N 0.52 32.56 85.53 15.00 130 PRO CD −0.89 32.96 85.30 15.00 130 PRO CA 1.27 32.70 84.30 15.00 130 PRO CB 0.38 33.61 83.50 15.00 130 PRO CG −0.98 33.09 83.81 15.00 139 PRO O 2.68 33.24 84.44 15.00 130 PRO O 2.93 34.17 85.20 15.00 131 VAL N 3.59 32.56 83.75 15.00 131 VAL CA 5.01 32.88 83.76 15.00 131 VAL CB 5.79 31.64 84.27 15.00 131 VAL CG1 7.25 31.88 84.32 15.00 131 VAL CG2 5.29 31.20 85.62 15.00 131 VAL C 5.46 33.28 82.34 15.00 131 VAL O 4.93 32.82 81.36 15.00 132 SER N 6.29 34.30 82.27 15.00 132 SER CA 6.77 34.75 80.98 15.00 132 SER CB 7.15 36.24 81.04 15.00 132 SER OG 5.98 36.98 81.39 15.00 132 SER C 7.92 33.89 80.48 15.00 132 SER O 9.01 33.83 81.08 15.00 133 VAL N 7.65 33.20 79.38 15.00 133 VAL CA 8.65 32.34 78.76 15.00 133 VAL CB 8.09 30.90 78.61 15.00 133 VAL CG1 7.58 30.35 79.92 15.00 133 VAL CG2 6.97 30.91 77.61 15.00 133 VAL C 9.05 32.84 77.37 15.00 133 VAL O 8.48 33.81 76.85 15.00 134 ALA N 10.08 32.21 76.81 15.00 134 ALA CA 10.60 32.51 75.49 15.00 134 ALA CB 11.89 33.29 75.59 15.00 134 ALA C 10.85 31.16 74.84 15.00 134 ALA O 11.46 30.30 75.47 15.00 135 ILE N 10.35 30.97 73.62 15.00 135 ILE CA 10.52 29.73 72.86 15.00 135 ILE CB 9.18 28.95 72.80 15.00 135 ILE CG2 8.71 28.60 74.21 15.00 135 ILE CG1 8.13 29.80 72.09 15.00 135 ILE CD1 6.78 29.14 72.00 15.00 135 ILE C 11.04 30.04 71.44 15.00 135 ILE O 11.30 31.20 71.08 15.00 136 ASP N 11.28 28.98 70.67 15.00 136 ASP CA 11.71 29.13 69.30 15.00 136 ASP CB 12.68 28.01 68.94 15.00 136 ASP CG 13.21 28.11 67.50 15.00 136 ASP OD1 13.77 27.12 67.00 15.00 136 ASP OD2 13.08 29.18 66.88 15.00 136 ASP C 10.45 28.94 68.51 15.00 136 ASP O 9.90 27.82 68.48 15.00 137 ALA N 9.98 30.01 67.87 15.00 137 ALA CA 8.78 29.93 67.06 15.00 137 ALA CB 7.74 30.91 67.56 15.00 137 ALA C 9.09 30.18 65.58 15.00 137 ALA O 8.27 30.79 64.88 15.00 138 SER N 10.22 29.67 65.10 15.00 138 SER CA 10.66 29.83 63.72 15.00 138 SER CB 12.18 29.81 63.63 15.00 138 SER OG 12.67 28.54 64.01 15.00 138 SER C 10.15 28.77 62.77 15.00 138 SER O 9.81 29.07 61.62 15.00 139 LEU N 10.12 27.53 63.26 15.00 139 LEU CA 9.66 26.42 62.45 15.00 139 LEU CB 9.74 25.13 63.29 15.00 139 LEU CG 11.05 24.33 63.34 15.00 139 LEU CD1 12.24 25.24 63.67 15.00 139 LEU CD2 10.92 23.21 64.38 15.00 139 LEU C 8.24 26.59 61.88 15.00 139 LEU O 7.32 26.95 62.60 15.00 140 THR N 8.08 26.30 60.58 15.00 140 THR CA 6.80 26.39 59.88 15.00 140 THR CB 6.88 25.76 58.50 15.00 140 THR OG1 8.18 25.97 57.94 15.00 140 THR CG2 5.86 26.37 57.60 15.00 140 THR C 5.76 25.62 60.67 15.00 140 THR O 4.67 26.12 60.88 15.00 141 SER N 6.13 24.45 61.17 15.00 141 SER CA 5.20 23.63 61.94 15.00 141 SER CB 5.79 22.28 62.28 15.00 141 SER OG 7.00 22.40 62.97 15.00 141 SER C 4.65 24.28 63.18 15.00 141 SER O 3.60 23.89 63.66 15.00 142 PHE N 5.35 25.26 63.72 15.00 142 PHE CA 4.82 25.94 64.90 15.00 142 PHE CB 5.94 26.71 65.64 15.00 142 PHE CG 5.46 27.49 66.86 15.00 142 PHE CD1 5.60 26.99 68.12 15.00 142 PHE CD2 4.89 28.74 66.71 15.00 142 PHE CE1 5.15 27.76 69.25 15.00 142 PHE CE2 4.46 29.49 67.82 15.00 142 PHE CZ 4.59 29.00 69.07 15.00 142 PHE C 3.74 26.88 64.42 15.00 142 PHE O 2.63 26.88 64.93 15.00 143 GLN N 4.08 27.58 63.36 15.00 143 GLN CA 3.24 28.59 62.73 15.00 143 GLN CB 4.04 29.36 61.69 15.00 143 GLN CG 5.38 29.87 62.23 15.00 143 GLN CD 6.19 30.64 61.16 15.00 143 GLN OE1 5.83 31.75 60.75 15.00 143 GLN NE2 7.25 30.01 60.64 15.00 143 GLN C 1.95 28.10 62.12 15.00 143 GLN O 0.99 28.86 62.08 15.00 144 PHE N 1.91 26.90 61.55 15.00 144 PHE CA 0.61 26.44 61.01 15.00 144 PHE CB 0.73 25.77 59.63 15.00 144 PHE CG 1.72 24.62 59.58 15.00 144 PHE CD1 2.76 24.61 58.69 15.00 144 PHE CD2 1.58 23.50 60.36 15.00 144 PHE CE1 3.60 23.51 58.60 15.00 144 PHE CE2 2.47 22.41 60.22 15.00 144 PHE CZ 3.44 22.44 59.35 15.00 144 PHE C −0.14 25.50 61.98 15.00 144 PHE O −1.10 24.82 61.59 15.00 145 TYR N 0.31 25.47 63.24 15.00 145 TYR CA −0.31 24.65 64.26 15.00 145 TYR CB 0.32 24.91 65.65 15.00 145 TYR CG −0.47 24.34 66.81 15.00 145 TYR CD1 −0.26 23.01 67.22 15.00 145 TYR CE1 −0.98 22.48 68.28 15.00 145 TYR CD2 −1.42 25.12 67.48 15.00 145 TYR CE2 −2.15 24.61 68.54 15.00 145 TYR CZ −1.93 23.28 68.94 15.00 145 TYR OH −2.67 22.83 70.02 15.00 145 TYR C −1.80 24.98 64.30 15.00 145 TYR C −2.24 26.10 64.03 15.00 146 SER N −2.60 24.00 64.69 15.00 146 SER CA −4.06 24.19 64.77 15.00 146 SER CB −4.67 23.67 63.48 15.00 146 SER OG −4.29 22.33 63.27 15.00 146 SER C −4.67 23.42 65.95 15.00 146 SER O −5.59 23.89 66.62 15.00 147 LYS N −4.20 22.20 66.13 15.00 147 LYS CA −4.67 21.36 67.20 15.00 147 LYS CB −5.96 20.64 66.83 15.00 147 LYS CG −5.81 19.47 65.90 15.00 147 LYS CD −7.06 18.58 65.92 15.00 147 LYS CE −6.91 17.41 64.96 15.00 147 LYS NZ −8.13 16.56 64.99 15.00 147 LYS C −3.60 20.36 67.62 15.00 147 LYS O −2.62 20.16 66.90 15.00 148 GLY N −3.82 19.73 68.78 15.00 148 GLY CA −2.88 18.75 69.30 15.00 148 GLY C −1.76 19.26 70.20 15.00 148 GLY O −1.75 20.39 70.59 15.00 149 VAL N −0.79 18.40 70.52 15.00 149 VAL CA 0.33 18.81 71.35 15.00 149 VAL CB 0.58 17.89 72.57 15.00 149 VAL CG1 1.74 18.42 73.41 15.00 149 VAL CG2 −0.68 17.75 73.42 15.00 149 VAL C 1.59 18.86 70.48 15.00 149 VAL O 2.06 17.84 69.96 15.00 150 TYR N 2.13 20.07 70.35 15.00 150 TYR CA 3.32 20.33 69.53 15.00 150 TYR CB 3.50 21.83 69.29 15.00 150 TYR CG 4.59 22.21 68.31 15.00 150 TYR CD1 4.47 22.01 66.95 15.00 150 TYR CE1 5.48 22.37 66.04 15.00 150 TYR CD2 5.74 22.78 68.72 15.00 150 TYR CE2 6.75 23.13 67.81 15.00 150 TYR CZ 6.61 22.93 66.48 15.00 150 TYR OH 7.57 23.30 65.60 15.00 150 TYR C 4.60 19.72 70.12 15.00 150 TYR O 4.76 19.60 71.37 15.00 151 TYR N 5.44 19.24 69.21 15.00 151 TYR CA 6.74 18.68 69.55 15.00 151 TYR CB 6.62 17.30 70.22 15.00 151 TYR CG 7.96 16.61 70.42 15.00 151 TYR CD1 9.15 17.34 70.60 15.00 151 TYR CE1 10.41 16.67 70.84 15.00 151 TYR CD2 8.02 15.21 70.47 15.00 151 TYR CE2 9.24 14.52 70.71 15.00 151 TYR CZ 10.43 15.27 70.89 15.00 151 TYR OH 11.60 14.61 71.14 15.00 151 TYR C 7.38 18.53 68.19 15.00 151 TYR O 6.82 17.86 67.31 15.00 152 ASP N 8.47 19.26 67.98 15.00 152 ASP CA 9.18 19.22 66.71 15.00 152 ASP CB 8.83 20.40 65.81 15.00 152 ASP CG 9.30 20.18 64.37 15.00 152 ASP OD1 10.54 20.06 64.18 15.00 152 ASP OD2 8.42 20.06 63.48 15.00 152 ASP C 10.69 19.18 66.97 15.00 152 ASP O 11.34 20.21 67.14 15.00 153 GLU N 11.24 17.97 66.94 15.00 153 GLU CA 12.64 17.77 67.18 15.00 153 GLU CB 13.00 16.30 66.88 15.00 153 GLU CG 12.45 15.71 65.61 15.00 153 GLU CD 11.10 15.02 65.83 15.00 153 GLU OE1 11.10 13.96 66.53 15.00 153 GLU OE2 10.06 15.52 65.30 15.00 153 GLU C 13.60 18.73 66.48 15.00 153 GLU O 14.75 18.90 66.91 15.00 154 SER N 13.17 19.30 65.35 15.00 154 SER CA 14.02 20.24 64.60 15.00 154 SER CB 13.49 20.49 63.17 15.00 154 SER OG 13.06 19.29 62.54 15.00 154 SER C 14.13 21.57 65.34 15.00 154 SER O 14.95 22.40 65.00 15.00 155 CYS N 13.37 21.72 66.43 15.00 155 CYS CA 13.33 22.98 67.21 15.00 155 CYS C 14.64 23.18 67.97 15.00 155 CYS O 15.25 22.21 68.44 15.00 155 CYS CB 12.15 22.99 68.17 15.00 155 CYS SG 11.63 24.66 68.64 15.00 156 ASN N 15.04 24.44 68.16 15.00 156 ASN CA 16.31 24.74 68.81 15.00 156 ASN CB 17.20 25.46 67.80 15.00 156 ASN CG 18.46 26.05 68.41 15.00 156 ASN OD1 18.80 25.83 69.59 15.00 156 ASN ND2 19.18 26.80 67.59 15.00 156 ASN C 16.22 25.55 70.11 15.00 156 ASN O 16.12 26.80 70.09 15.00 157 SER N 16.27 24.83 71.22 15.00 157 SER CA 16.22 25.44 72.55 15.00 157 SER CB 16.51 24.37 73.60 15.00 157 SER OG 15.49 23.40 73.56 15.00 157 SER C 17.22 26.59 72.72 15.00 157 SER O 16.99 27.51 73.49 15.00 158 ASP N 18.35 26.52 72.02 15.00 158 ASP CA 19.40 27.52 72.06 15.00 158 ASP CB 20.71 26.91 71.57 15.00 158 ASP CG 20.91 25.47 72.03 15.00 158 ASP OD1 21.16 24.60 71.16 15.00 158 ASP OD2 20.81 25.18 73.26 15.00 158 ASP C 19.05 28.77 71.26 15.00 158 ASP O 19.69 29.81 71.37 15.00 159 ASN N 18.04 28.67 70.40 15.00 159 ASN CA 17.64 29.82 69.62 15.00 159 ASN CB 17.77 29.53 68.12 15.00 159 ASN CG 17.54 30.78 67.23 15.00 159 ASN OD1 17.33 30.67 66.00 15.00 159 ASN ND2 17.63 31.96 67.83 15.00 159 ASN C 16.22 30.27 69.99 15.00 159 ASN O 15.23 29.87 69.36 15.00 160 LEU N 16.12 31.10 71.03 15.00 160 LEU CA 14.84 31.64 71.49 15.00 160 LEU CB 14.88 31.87 73.00 15.00 160 LEU CG 15.40 30.70 73.88 15.00 160 LEU CD1 15.23 31.09 75.33 15.00 160 LEU CD2 14.68 29.38 73.59 15.00 160 LEU C 14.66 32.96 70.75 15.00 160 LEU O 15.56 33.76 70.75 15.00 161 ASN N 13.52 33.17 70.11 15.00 161 ASN CA 13.28 34.40 69.36 15.00 161 ASN CB 13.53 34.18 67.85 15.00 161 ASN CG 12.91 32.90 67.32 15.00 161 ASN OD1 11.68 32.70 67.33 15.00 161 ASN ND2 13.78 32.01 66.83 15.00 161 ASN C 11.86 34.98 69.54 15.00 161 ASN O 11.57 36.09 69.09 15.00 162 HIS N 10.99 34.28 70.26 15.00 162 HIS CA 9.66 34.79 70.41 15.00 162 HIS CB 8.74 34.04 69.45 15.00 162 HIS CG 7.37 34.62 69.35 15.00 162 HIS CD2 6.94 35.88 69.10 15.00 162 HIS ND1 6.24 33.84 69.45 15.00 162 HIS CE1 5.17 34.59 69.25 15.00 162 HIS NE2 5.57 35.83 69.03 15.00 162 HIS C 9.28 34.53 71.85 15.00 162 HIS O 9.61 33.48 72.39 15.00 163 ALA N 8.70 35.56 72.47 15.00 163 ALA CA 8.26 35.51 73.85 15.00 163 ALA CD 8.50 36.80 74.53 15.00 163 ALA C 6.78 35.24 73.87 15.00 163 ALA O 6.02 35.80 73.09 15.00 164 VAL N 6.39 34.38 74.78 15.00 164 VAL CA 5.01 34.03 74.97 15.00 164 VAL CB 4.69 32.69 74.29 15.00 164 VAL CG1 4.67 32.84 72.75 15.00 164 VAL CG2 5.73 31.64 74.69 15.00 164 VAL C 4.72 33.94 76.48 15.00 164 VAL O 5.55 34.42 77.30 15.00 165 LEU N 3.60 33.31 76.85 15.00 165 LEU CA 3.27 33.21 78.26 15.00 165 LEU CB 2.31 34.36 78.60 15.00 165 LEU CG 1.52 34.51 79.93 15.00 165 LEU CD1 2.25 35.21 81.00 15.00 165 LEU CD2 0.26 35.25 79.65 15.00 165 LEU C 2.65 31.88 78.63 15.00 165 LEU O 1.68 31.50 77.98 15.00 166 ALA N 3.25 31.15 79.57 15.00 166 ALA CA 2.73 29.85 80.03 15.00 166 ALA CB 3.79 29.05 80.72 15.00 166 ALA C 1.57 30.12 80.98 15.00 166 ALA O 1.76 30.63 82.05 15.00 167 VAL N 0.38 29.73 80.56 15.00 167 VAL CA −0.88 29.95 81.26 15.00 167 VAL CD −1.94 30.48 80.19 15.00 167 VAL CG1 −3.36 30.02 80.45 15.00 167 VAL CG2 −1.88 32.03 80.10 15.00 167 VAL C −1.36 28.70 82.03 15.00 167 VAL O −2.35 28.75 82.70 15.00 168 GLY N −0.67 27.57 81.88 15.00 168 GLY CA −1.07 26.35 82.56 15.00 168 GLY C −0.36 25.13 82.00 15.00 168 GLY O 0.52 25.29 81.17 15.00 169 TYR N −0.68 23.94 82.49 15.00 169 TYR CA −0.03 22.73 81.98 15.00 169 TYR CB 1.33 22.45 82.69 15.00 169 TYR CG 1.24 22.33 84.21 15.00 169 TYR CD1 0.66 21.21 84.82 15.00 169 TYR CE1 0.51 21.16 86.19 15.00 169 TYR CD2 1.67 23.36 85.02 15.00 169 TYR CE2 1.53 23.30 86.36 15.00 169 TYR CZ 0.94 22.20 86.95 15.00 169 TYR OH 0.76 22.18 88.32 15.00 169 TYR C −0.97 21.62 82.29 15.00 169 TYR O −1.89 21.79 83.08 15.00 170 GLY N −0.71 20.47 81.70 15.00 170 GLY CA −1.54 19.31 81.93 15.00 170 GLY C −1.19 18.20 80.97 15.00 170 GLY O −0.05 18.05 80.56 15.00 171 ILE N −2.19 17.42 80.63 15.00 171 ILE CA −1.99 16.31 79.71 15.00 171 ILE CB −1.71 14.98 80.49 15.00 171 ILE CG2 −2.84 14.65 81.48 15.00 171 ILE CG1 −1.47 13.80 79.57 15.00 171 ILE CD1 −1.37 12.49 80.30 15.00 171 ILE C −3.23 16.19 78.81 15.00 171 ILE O −4.29 16.77 79.10 15.00 172 GLN N −3.09 15.50 77.69 15.00 172 GLN CA −4.21 15.35 76.77 15.00 172 GLN CB −3.96 16.16 75.48 15.00 172 GLN CG −5.15 16.20 74.49 15.00 172 GLN CD −5.05 17.33 73.50 15.00 172 GLN OE1 −4.76 18.47 73.87 15.00 172 GLN NE2 −5.27 17.03 72.22 15.00 172 GLN C −4.51 13.86 76.49 15.00 172 GLN O −5.23 13.22 77.27 15.00 173 LYS N −4.00 13.30 75.41 15.00 173 LYS CA −4.27 11.89 75.22 15.00 173 LYS CB −4.76 11.64 73.81 15.00 173 LYS CG −6.07 12.36 73.52 15.00 173 LYS CD −6.45 12.30 72.03 15.00 173 LYS CE −5.44 13.01 71.15 15.00 173 LYS NZ −5.85 12.96 69.72 15.00 173 LYS C −2.97 11.18 75.51 15.00 173 LYS O −2.29 10.72 74.59 15.00 174 GLY N −2.59 11.22 76.78 15.00 174 GLY CA −1.36 10.60 77.21 15.00 174 GLY C −0.18 11.54 77.14 15.00 174 GLY O 0.88 11.27 77.72 15.00 175 ASN N −0.34 12.66 76.42 15.00 175 ASN CA 0.75 13.62 76.27 15.00 175 ASN CB 0.84 14.07 74.82 15.00 175 ASN CG 1.30 12.97 73.90 15.00 175 ASN OD1 2.46 12.52 73.96 15.00 175 ASN ND2 0.38 12.50 73.05 15.00 175 ASN C 0.75 14.84 77.17 15.00 175 ASN O −0.24 15.61 77.23 15.00 176 LYS N 1.91 15.07 77.78 15.00 176 LYS CA 2.12 16.20 78.66 15.00 176 LYS CB 3.36 15.99 79.53 15.00 176 LYS CG 3.19 14.86 80.52 15.00 176 LYS CD 4.24 14.85 81.66 15.00 176 LYS CE 4.17 13.51 82.41 15.00 176 LYS NZ 2.95 13.37 83.28 15.00 176 LYS C 2.25 17.46 77.85 15.00 176 LYS O 2.71 17.42 76.71 15.00 177 HIS N 1.74 18.56 78.38 15.00 177 HIS CA 1.85 19.81 77.66 15.00 177 HIS CB 0.73 19.92 76.63 15.00 177 HIS CG −0.62 20.17 77.21 15.00 177 HIS CD2 −1.20 21.32 77.65 15.00 177 HIS ND1 −1.56 19.18 77.38 15.00 177 HIS CE1 −2.67 19.70 77.89 15.00 177 HIS NE2 −2.47 21.00 78.06 15.00 177 HIS C 1.83 21.03 78.53 15.00 177 HIS O 1.38 20.97 79.68 15.00 178 TRP N 2.20 22.13 77.89 15.00 178 TRP CA 2.21 23.47 78.45 15.00 178 TRP CB 3.57 24.15 78.26 15.00 178 TRP CG 4.71 23.55 78.98 15.00 178 TRP CD2 4.98 23.62 80.41 15.00 178 TRP CE2 6.14 22.88 80.64 15.00 178 TRP CE3 4.33 24.22 81.52 15.00 178 TRP CD1 5.70 22.82 78.45 15.00 178 TRP NE1 6.56 22.40 79.44 15.00 178 TRP CZ2 6.67 22.72 81.91 15.00 178 TRP CZ3 4.86 24.05 82.17 15.00 178 TRP CH2 6.01 23.31 82.96 15.00 178 TRP C 1.18 24.24 77.64 15.00 178 TRP O 1.14 24.11 76.42 15.00 179 ILE N 0.33 25.01 78.30 15.00 179 ILE CA −0.64 25.81 77.55 15.00 179 ILE CB −1.90 26.08 78.34 15.00 179 ILE CG2 −2.77 27.07 77.61 15.00 179 ILE CG1 −2.54 24.73 78.71 15.00 179 ILE CD1 −3.79 24.79 79.53 15.00 179 ILE C 0.03 27.14 77.31 15.00 179 ILE O 0.36 27.82 78.27 15.00 180 ILE N 0.23 27.49 76.05 15.00 180 ILE CA 0.89 28.72 75.68 15.00 180 ILE CB 2.09 28.49 74.78 15.00 180 ILE CG2 2.73 29.81 74.51 15.00 180 ILE CG1 3.09 27.57 75.46 15.00 180 ILE CD1 3.92 28.26 76.47 15.00 180 ILE C −0.04 29.69 75.03 15.00 180 ILE O −0.88 29.33 74.22 15.00 181 LYS N 0.06 30.94 75.44 15.00 181 LYS CA −0.80 31.95 74.91 15.00 181 LYS CB −1.26 32.84 76.03 15.00 181 LYS CG −1.94 34.09 75.52 15.00 181 LYS CD −2.47 34.90 76.67 15.00 181 LYS CE −2.92 36.22 76.11 15.00 181 LYS NZ −3.47 37.09 77.17 15.00 181 LYS C 0.15 32.72 74.03 15.00 181 LYS O 1.19 33.15 74.52 15.00 182 ASN N −0.15 32.81 72.75 15.00 182 ASN CA 0.73 33.49 71.81 15.00 182 ASN CB 0.96 32.61 70.59 15.00 182 ASN CG 1.97 33.17 69.65 15.00 182 ASN OD1 2.31 34.34 69.73 15.00 182 ASN ND2 2.42 32.35 68.71 15.00 182 ASN C 0.01 34.76 71.38 15.00 182 ASN O −1.21 34.83 71.39 15.00 183 SER N 0.75 35.80 71.01 15.00 183 SER CA 0.09 37.03 70.61 15.00 183 SER CB 0.81 38.23 71.20 15.00 183 SER OG 2.19 38.09 71.04 15.00 183 SER C −0.09 37.18 69.10 15.00 183 SER O 0.19 38.25 68.56 15.00 184 TRP N −0.58 36.16 68.41 15.00 184 TRP CA −0.73 36.29 66.97 15.00 184 TRP CB 0.00 35.18 66.21 15.00 184 TRP CG 1.47 35.38 66.20 15.00 184 TRP CD2 2.44 34.39 65.92 15.00 184 TRP CE2 3.69 35.01 65.97 15.00 184 TRP CE3 2.38 33.02 65.61 15.00 184 TRP CD1 2.13 36.54 66.41 15.00 184 TRP NE1 3.47 36.33 66.27 15.00 184 TRP CZ2 4.88 34.32 65.74 15.00 184 TRP CZ3 3.56 32.33 65.37 15.00 184 TRP CH2 4.79 32.98 65.44 15.00 184 TRP C −2.17 36.42 66.57 15.00 184 TRP O −2.53 36.20 65.42 15.00 185 GLY N −2.97 36.92 67.51 15.00 185 GLY CA −4.37 37.14 67.23 15.00 185 GLY C −5.06 35.83 67.50 15.00 185 GLY O −4.46 34.76 67.64 15.00 186 GLU N −6.37 35.94 67.57 15.00 186 GLU CA −7.23 34.80 67.84 15.00 186 GLU CB −8.63 35.32 68.26 15.00 186 GLU CG −9.57 34.27 68.68 15.00 186 GLU CD −10.89 34.86 69.09 15.00 186 GLU OE1 −11.68 35.25 68.20 15.00 186 GLU OE2 −11.14 34.91 70.31 15.00 186 GLU C −7.36 33.76 66.75 15.00 186 GLU O −7.74 32.62 67.03 15.00 187 ASN N −7.00 34.14 65.52 15.00 187 ASN CA −7.11 33.25 64.36 15.00 187 ASN CB −7.33 34.07 63.08 15.00 187 ASN CG −8.45 33.50 62.21 15.00 187 ASN OD1 −8.22 33.17 61.07 15.00 187 ASN ND2 −9.66 33.42 62.75 15.00 187 ASN C −5.92 32.36 64.14 15.00 187 ASN O −5.90 31.63 63.13 15.00 188 TRP N −4.89 32.50 64.96 15.00 188 TRP CA −3.73 31.66 64.83 15.00 188 TRP CB −2.53 32.41 65.32 15.00 188 TRP CG −1.34 31.51 65.25 15.00 188 TRP CD2 −0.66 30.87 66.35 15.00 188 TRP CE2 0.34 30.12 65.83 15.00 188 TRP CE3 −0.81 30.87 67.72 15.00 188 TRP CD1 −0.72 31.11 64.13 15.00 188 TRP NE1 0.30 30.26 64.46 15.00 188 TRP CZ2 1.18 29.39 66.64 15.00 188 TRP CZ3 0.04 30.13 68.52 15.00 188 TRP CH2 0.98 29.43 68.01 15.00 188 TRP C −3.93 30.46 65.72 15.00 188 TRP O −4.69 30.59 66.69 15.00 189 GLY N −3.29 29.33 65.40 15.00 189 GLY CA −3.42 28.14 66.22 15.00 189 GLY C −4.80 27.88 66.77 15.00 189 GLY O −5.82 28.15 66.15 15.00 190 ASN N −4.87 27.38 67.98 15.00 190 ASN CA −6.16 27.08 68.58 15.00 190 ASN CB −6.04 25.89 69.53 15.00 190 ASN CG −7.37 25.28 69.86 15.00 190 ASN OD1 −8.42 25.95 69.81 15.00 190 ASN ND2 −7.34 24.00 70.23 15.00 190 ASN C −6.70 28.34 69.26 15.00 190 ASN O −6.57 28.50 70.46 15.00 191 LYS N −7.23 29.26 68.47 15.00 191 LYS CA −7.79 30.49 68.99 15.00 191 LYS CB −9.10 30.17 69.71 15.00 191 LYS CG −10.01 29.28 68.87 15.00 191 LYS CD −10.50 29.93 67.53 15.00 191 LYS CE −9.41 30.19 66.45 15.00 191 LYS NZ −8.63 28.95 66.03 15.00 191 LYS C −6.81 31.27 69.84 15.00 191 LYS O −7.13 31.73 70.96 15.00 192 GLY N −5.60 31.43 69.30 15.00 192 GLY CA −4.58 32.18 70.01 15.00 192 GLY C −3.63 31.36 70.87 15.00 192 GLY O −2.54 31.86 71.19 15.00 193 TYR N −4.03 30.16 71.27 15.00 193 TYR CA −3.20 29.32 72.12 15.00 193 TYR CB −4.03 28.72 73.28 15.00 193 TYR CG −4.53 29.79 74.21 15.00 193 TYR CD1 −5.69 30.50 73.91 15.00 193 TYR CE1 −6.13 31.53 74.73 15.00 193 TYR CD2 −3.81 30.13 75.36 15.00 193 TYR CE2 −4.22 31.14 76.20 15.00 193 TYR CZ −5.37 31.84 75.89 15.00 193 TYR OH −5.74 32.89 76.71 15.00 193 TYR C −2.54 28.21 71.35 15.00 193 TYR O −2.85 27.94 70.17 15.00 194 ILE N −1.68 27.50 72.06 15.00 194 ILE CA −0.99 26.35 71.50 15.00 194 ILE CB 0.26 26.72 70.64 15.00 194 ILE CG2 1.18 27.65 71.44 15.00 194 ILE CG1 1.03 25.47 70.15 15.00 194 ILE CD1 2.16 25.76 69.14 15.00 194 ILE C −0.54 25.54 72.70 15.00 194 ILE O −0.28 26.08 73.75 15.00 195 LEU N −0.56 24.23 72.57 15.00 195 LEU CA −0.12 23.30 73.59 15.00 195 LEU CB −1.11 22.15 73.67 15.00 195 LEU CG −2.34 22.29 74.58 15.00 195 LEU CD1 −2.88 23.70 74.67 15.00 195 LEU CD2 −3.41 21.38 74.05 15.00 195 LEU C 1.21 22.81 73.09 15.00 195 LEU O 1.31 22.26 71.99 15.00 196 MET N 2.25 23.13 73.83 15.00 196 MET CA 3.58 22.69 73.45 15.00 196 MET CB 4.57 23.83 73.65 15.00 196 MET CG 4.29 24.99 72.69 15.00 196 MET SD 5.56 26.26 72.94 15.00 196 MET CE 7.08 25.68 71.98 15.00 196 MET C 3.97 21.45 74.27 15.00 196 MET O 3.31 21.15 75.28 15.00 197 ALA N 4.97 20.70 73.81 15.00 197 ALA CA 5.38 19.48 74.52 15.00 197 ALA CB 6.32 18.63 73.67 15.00 197 ALA C 6.01 19.71 75.90 15.00 197 ALA O 6.93 20.50 76.02 15.00 198 ARG N 5.56 19.01 76.94 15.00 198 ARG CA 6.13 19.21 78.27 15.00 198 ARG CB 5.05 19.61 79.26 15.00 198 ARG CG 5.46 19.52 80.76 15.00 198 ARG CD 4.45 20.21 81.65 15.00 198 ARG NE 3.20 19.48 81.76 15.00 198 ARG CZ 3.00 18.51 82.64 15.00 198 ARG NH1 3.99 18.18 83.47 15.00 198 ARG NH2 1.80 17.95 82.78 15.00 198 ARG C 6.82 17.93 78.72 15.00 198 ARG O 6.19 16.88 78.82 15.00 199 ASN N 8.13 18.02 78.90 15.00 199 ASN CA 8.99 16.89 79.34 15.00 199 ASN CB 8.28 15.93 80.33 15.00 199 ASN CG 8.26 16.47 81.77 15.00 199 ASN OD1 7.22 16.83 82.31 15.00 199 ASN ND2 9.45 16.55 82.38 15.00 199 ASN C 9.79 16.12 78.28 15.00 199 ASN O 10.49 15.17 78.61 15.00 200 LYS N 9.77 16.62 77.05 15.00 200 LYS CA 10.56 16.06 75.94 15.00 200 LYS CB 9.83 16.23 74.61 15.00 200 LYS CG 8.82 15.14 74.28 15.00 200 LYS CD 7.48 15.29 74.99 15.00 200 LYS CE 6.27 15.00 74.07 15.00 200 LYS NZ 6.29 13.60 73.43 15.00 200 LYS C 11.87 16.86 75.92 15.00 200 LYS O 12.15 17.61 74.99 15.00 201 ASN N 12.64 16.70 76.99 15.00 201 ASN CA 13.91 17.41 77.22 15.00 201 ASN CB 15.14 16.71 76.60 15.00 201 ASN CG 15.48 15.43 77.29 15.00 201 ASN OD1 15.33 14.36 76.70 15.00 201 ASN ND2 15.91 15.52 78.56 15.00 201 ASN C 13.91 18.86 76.81 15.00 201 ASN O 14.74 19.28 76.01 15.00 202 ASN N 13.02 19.62 77.41 15.00 202 ASN CA 12.87 21.05 77.17 15.00 202 ASN CB 13.98 21.82 77.88 15.00 202 ASN CG 13.66 23.27 78.07 15.00 202 ASN OD1 12.53 23.63 78.38 15.00 202 ASN ND2 14.63 24.12 77.83 15.00 202 ASN C 12.73 21.47 75.69 15.00 202 ASN O 13.48 22.28 75.16 15.00 203 ALA N 11.66 21.00 75.05 15.00 203 ALA H 11.06 20.52 75.65 15.00 203 ALA CA 11.34 21.22 73.64 15.00 203 ALA CB 10.03 20.53 73.27 15.00 203 ALA C 11.16 22.72 73.38 15.00 203 ALA O 10.25 23.38 73.78 15.00 204 CYS N 11.98 23.21 72.42 15.00 204 CYS CA 12.00 24.60 72.00 15.00 204 CYS C 12.56 25.58 73.01 15.00 204 CYS O 12.50 26.79 72.81 15.00 204 CYS CB 10.64 25.06 71.56 15.00 204 CYS SG 10.05 24.34 69.96 15.00 205 GLY N 13.03 25.04 74.13 15.00 205 GLY CA 13.63 25.86 75.14 15.00 205 GLY C 12.69 26.61 76.01 15.00 205 GLY O 13.03 27.59 76.63 15.00 206 ILE N 11.50 26.08 76.12 15.00 206 ILE CA 10.47 26.69 76.92 15.00 206 ILE CB 9.30 25.69 77.08 15.00 206 ILE CG2 9.78 24.44 77.78 15.00 206 ILE CG1 8.15 26.33 77.87 15.00 206 ILE CD1 7.20 27.12 77.00 15.00 206 ILE C 10.95 27.11 78.33 15.00 206 ILE O 10.50 28.12 78.86 15.00 207 ALA N 11.85 26.34 78.95 15.00 207 ALA CA 12.32 26.67 80.30 15.00 207 ALA CB 12.30 25.45 81.18 15.00 207 ALA C 13.68 27.35 80.43 15.00 207 ALA O 14.20 27.46 81.56 15.00 208 ASN N 14.21 27.84 79.31 15.00 208 ASN CA 15.51 28.52 79.26 15.00 208 ASN CB 16.13 28.39 77.88 15.00 208 ASN CG 16.75 27.01 77.59 15.00 208 ASN OD1 16.26 25.96 78.00 15.00 208 ASN ND2 17.86 27.03 76.88 15.00 208 ASN C 15.37 30.02 79.55 15.00 208 ASN O 16.37 30.73 79.73 15.00 209 LEU N 14.16 30.55 79.48 15.00 209 LEU CA 13.97 31.98 79.73 15.00 209 LEU CB 14.05 32.79 78.43 15.00 209 LEU CG 14.45 34.26 78.52 15.00 209 LEU CD1 15.95 34.30 78.78 15.00 209 LEU CD2 14.12 35.06 77.23 15.00 209 LEU C 12.71 32.35 80.51 15.00 209 LEU O 12.13 33.44 80.31 15.00 210 ALA N 12.37 31.55 81.52 15.00 210 ALA H 12.79 30.67 81.51 15.00 210 ALA CA 11.14 31.81 82.27 15.00 210 ALA CB 10.61 30.53 82.92 15.00 210 ALA C 11.43 32.81 83.41 15.00 210 ALA O 12.41 32.78 84.11 15.00 211 SER N 10.44 33.74 83.58 15.00 211 SER CA 10.44 34.68 84.69 15.00 211 SER CB 11.25 35.95 84.38 15.00 211 SER OG 10.66 36.74 83.37 15.00 211 SER C 8.97 35.02 85.03 15.00 211 SER O 8.07 34.77 84.22 15.00 212 PHE N 8.74 35.50 86.25 15.00 212 PHE CA 7.44 35.96 86.75 15.00 212 PHE CB 6.68 34.87 87.53 15.00 212 PHE CG 7.43 34.30 88.72 15.00 212 PHE CD1 8.34 33.31 88.54 15.00 212 PHE CD2 7.26 34.79 90.01 15.00 212 PHE CE1 9.08 32.83 89.64 15.00 212 PHE CE1 8.00 34.30 91.08 15.00 212 PHE CZ 8.90 33.33 90.90 15.00 212 PHE C 7.65 37.23 87.63 15.00 212 PHE O 8.64 37.35 88.34 15.00 213 PRO N 6.79 38.23 87.46 15.00 213 PRO CD 5.64 38.27 86.55 15.00 213 PRO CA 6.88 39.49 88.23 15.00 213 PRO CB 6.03 40.48 87.41 15.00 213 PRO CG 4.96 39.59 87.00 15.00 213 PRO C 6.30 39.32 89.66 15.00 213 PRO O 5.25 38.68 89.88 15.00 214 LYS N 6.99 39.82 90.67 15.00 214 LYS CA 6.40 39.71 92.01 15.00 214 LYS CB 7.46 39.54 93.11 15.00 214 LYS CG 8.31 38.28 92.90 15.00 214 LYS CD 8.81 37.72 94.19 15.00 214 LYS CE 9.63 38.73 94.95 15.00 214 LYS NZ 10.60 39.41 94.05 15.00 214 LYS C 5.57 40.96 92.27 15.00 214 LYS O 5.99 42.07 91.94 15.00 215 MET N 4.33 40.78 92.72 15.00 215 MET CA 3.47 41.93 92.99 15.00 215 MET CB 2.11 41.74 92.32 15.00 215 MET CG 1.57 43.08 91.85 15.00 215 MET SD 0.31 43.10 90.56 15.00 215 MET CE −1.09 43.67 91.53 15.00 215 MET C 3.31 42.16 94.50 15.00 215 MET OT1 3.48 41.21 95.29 15.00 215 MET OT2 3.17 43.33 94.89 15.00 216 HOH OH2 8.87 46.84 97.48 15.00 217 HOH OH2 −2.18 37.97 73.56 15.00 218 HOH OH2 1.71 36.04 75.21 15.00 219 HOH OH2 9.44 52.65 61.91 15.00 220 HOH OH2 0.80 56.90 67.17 15.00 221 HOH OH2 −2.51 36.41 82.35 15.00 222 HOH OH2 17.40 43.23 83.47 15.00 223 HOH OH2 −1.57 52.44 64.46 15.00 224 HOH OH2 12.41 35.91 80.62 15.00 225 HOH OH2 11.65 62.93 58.36 15.00 226 HOH OH2 11.38 48.93 74.41 15.00 227 HOH OH2 5.00 12.95 78.69 15.00 228 HOH OH2 4.86 15.66 86.17 15.00 229 HOH OH2 −9.01 32.96 72.96 15.00 230 HOH OH2 14.02 19.79 82.02 15.00 231 HOH OH2 18.09 36.59 88.86 15.00 232 HOH OH2 0.22 37.62 76.69 15.00 233 HOH OH2 3.45 36.52 73.19 15.00 234 HOH OH2 13.53 38.17 80.00 15.00 235 HOH OH2 −15.93 48.59 69.63 15.00 236 HOH OH2 −5.38 44.85 97.00 15.00 237 HOH OH2 −7.89 45.15 89.13 15.00 238 HOH OH2 2.43 19.39 65.70 15.00 239 HOH OH2 7.43 21.65 71.07 15.00 240 HOH OH2 2.41 16.41 85.78 15.00 241 HOH OH2 −0.33 36.99 59.82 15.00 242 HOH OH2 −7.54 26.54 72.89 15.00 243 HOH OH2 −3.03 44.85 65.86 15.00 244 HOH OH2 0.80 35.69 86.28 15.00 245 HOH OH2 −9.57 36.85 95.54 15.00 246 HOH OH2 −1.06 62.37 83.93 15.00 247 HOH OH2 7.72 62.09 69.81 15.00 248 HOH OH2 4.95 60.85 80.90 15.00 249 HOH OH2 14.51 30.92 83.13 15.00 250 HOH OH2 −1.50 28.47 63.31 15.00 251 HOH OH2 15.32 22.32 71.31 15.00 252 HOH OH2 −1.00 14.71 55.75 15.00 253 HOH OH2 6.77 18.87 84.05 15.00 254 HOH OH2 −9.65 32.88 79.27 15.00 255 HOH OH2 −2.32 34.26 69.09 15.00 256 HOH OH2 −11.12 32.20 64.94 15.00 257 HOH OH2 −3.80 45.19 72.07 15.00 258 HOH OH2 −7.43 38.35 65.10 15.00 259 HOH OH2 1.41 46.77 63.08 15.00 260 HOH OH2 −3.18 37.41 80.05 15.00 261 HOH OH2 7.12 59.13 81.53 15.00 262 HOH OH2 9.18 59.65 79.58 15.00 263 HOH OH2 8.43 57.49 83.56 15.00 264 HOH OH2 22.06 33.25 80.24 15.00 265 HOH OH2 20.66 27.84 95.17 15.00 266 HOH OH2 17.09 49.08 84.72 15.00 267 HOH OH2 12.06 54.25 84.82 15.00 268 HOH OH2 9.93 50.78 92.92 15.00 269 HOH OH2 13.59 41.50 91.19 15.00 270 HOH OH2 11.18 49.64 64.47 15.00 271 HOH OH2 12.14 55.71 75.81 15.00 272 HOH OH2 9.07 26.37 66.15 15.00 273 HOH OH2 24.27 24.31 64.11 15.00 274 HOH OH2 18.35 21.16 79.19 15.00 275 HOH OH2 20.62 28.49 61.87 15.00 276 HOH OH2 13.58 15.19 72.83 15.00 277 HOH OH2 9.33 19.74 77.14 15.00

TABLE XI Table of angles between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor 3(S)-3- [(N-benzyloxycarbonyl)-L-leucinyl] amino-5-methyl-1-(1-propoxy)- 2-hexanone. Atom 1 Atom 2 Atom 3 Angle Atom 1 Atom 2 Atom 3 Angle 242OH2 25C1 18OD1 69.66 242OH2 25C1 18ND2 48.33 242OH2 25C1 184O 82.25 242OH2 25C1 18CG 62.66 242OH2 25C1 184C 92.20 18OD1 25C1 184CA 78.01 18OD1 25C1 18ND2 33.84 18OD1 25C1 184O 82.68 18OD1 25C1 184CD1 97.11 18OD1 25C1 18CG 16.91 18OD1 25C1 184C 73.04 18OD1 25C1 20O 60.56 184CB 25C1 184CA 23.31 184CB 25C1 18ND2 93.14 184CB 25C1 184O 42.27 184CB 25C1 184CG 22.32 184CB 25C1 184CD1 38.40 184CB 25C1 18CG 92.58 184CB 25C1 184C 36.61 184CB 25C1 184CD2 32.79 184CB 25C1 184NE1 49.18 184CA 25C1 18ND2 72.65 184CA 25C1 184O 35.91 184CA 25C1 184CG 38.24 184CA 25C1 184CD1 44.79 184CA 25C1 18CG 69.61 184CA 25C1 184C 21.48 184CA 25C1 184CD2 52.43 184CA 25C1 184NE1 58.86 18ND2 25C1 184O 58.28 18ND2 25C1 18CG 18.49 18ND2 25C1 184C 56.82 18ND2 25C1 20O 92.88 184O 25C1 184CG 64.55 184O 25C1 184CD1 78.02 184O 25C1 18CG 67.10 184O 25C1 184C 17.17 184O 25C1 184CD2 73.76 184O 25C1 184NE1 90.68 184CG 25C1 184CD1 19.59 184CG 25C1 184C 56.91 184CG 25C1 184CD2 15.07 184CG 25C1 184NE1 27.32 184CD1 25C1 18CG 99.42 184CD1 25C1 184C 66.13 184CD1 25C1 184CD2 27.32 184CD1 25C1 184NE1 14.36 184CD1 25C1 20O 86.22 18CG 25C1 184C 59.85 18CG 25C1 20O 77.46 184C 25C1 184CD2 69.30 184C 25C1 184NE1 80.01 184CD2 25C1 184NE1 26.78 184NE1 25C1 20O 80.98 18OD1 25C2 184CA 93.13 18OD1 25C2 18CG 18.16 18OD1 25C2 20N 42.62 18OD1 25C2 18ND2 35.44 18OD1 25C2 242OH2 68.83 18OD1 25C2 20O 79.33 18OD1 25C2 183O 73.73 18OD1 25C2 184C 80.63 18OD1 25C2 19CG 85.64 18OD1 25C2 20CA 45.72 18OD1 25C2 19N 47.90 18OD1 25C2 184O 85.52 18OD1 25C2 20C 65.28 18OD1 25C2 184N 90.71 18OD1 25C2 19C 49.49 18OD1 25C2 18CB 22.83 18OD1 25C2 183C 82.72 18OD1 25C2 18CA 34.96 18OD1 25C2 18C 34.23 18OD1 25C2 19CA 54.26 184CD1 25C2 184CA 49.90 184CD1 25C2 184CB 40.27 184CD1 25C2 184CG 20.32 184CD1 25C2 183O 55.01 184CD1 25C2 184C 70.22 184CD1 25C2 19CG 61.53 184CD1 25C2 19N 85.18 184CD1 25C2 184O 78.11 184CD1 25C2 184NE1 15.62 184CD1 25C2 184N 44.48 184CD1 25C2 183C 47.20 184CD1 25C2 18CA 94.36 184CD1 25C2 18C 95.90 184CD1 25C2 184CD2 23.77 184CD1 25C2 19CA 87.00 184CA 25C2 18CG 78.59 184CA 25C2 18ND2 76.16 184CA 25C2 184CB 23.25 184CA 25C2 184CG 39.72 184CA 25C2 183O 40.92 184CA 25C2 184C 20.77 184CA 25C2 19CG 86.38 184CA 25C2 19N 76.16 184CA 25C2 184O 33.25 184CA 25C2 184NE1 65.31 184CA 25C2 184N 13.46 184CA 25C2 18CB 70.34 184CA 25C2 183C 28.93 184CA 25C2 18CA 61.99 184CA 25C2 18C 75.30 184CA 25C2 184CD2 51.97 184CA 25C2 19CA 89.58 18CG 25C2 20N 59.81 18CG 25C2 18ND2 20.07 18CG 25C2 184CB 99.39 18CG 25C2 242OH2 62.04 18CG 25C2 20O 97.48 18CG 25C2 183O 69.32 18CG 25C2 184C 63.66 18CG 25C2 19CG 95.51 18CG 25C2 20CA 63.78 18CG 25C2 19N 54.69 18CG 25C2 184O 67.41 18CG 25C2 20C 83.28 18CG 25C2 184N 79.10 18CG 25C2 19C 65.07 18CG 25C2 18CB 12.54 18CG 25C2 183C 75.08 18CG 25C2 18CA 30.58 18CG 25C2 18C 39.48 18CG 25C2 19CA 65.54 20N 25C2 18ND2 78.04 20N 25C2 20O 42.02 20N 25C2 183O 74.98 20N 25C2 19CG 52.80 20N 25C2 20CA 19.88 20N 25C2 19N 37.71 20N 25C2 20C 32.71 20N 25C2 19C 11.44 20N 25C2 18CB 58.04 20N 25C2 183C 87.83 20N 25C2 18CA 55.70 20N 25C2 18C 39.13 20N 25C2 19CA 28.06 18ND2 25C2 184CB 92.26 18ND2 25C2 242OH2 45.09 18ND2 25C2 183O 80.83 18ND2 25C2 184C 57.03 18ND2 25C2 20CA 77.75 18ND2 25C2 19N 73.94 18ND2 25C2 184O 55.05 18ND2 25C2 20C 96.02 18ND2 25C2 184N 81.33 18ND2 25C2 19C 84.52 18ND2 25C2 18CB 29.48 18ND2 25C2 183C 82.74 18ND2 25C2 18CA 46.57 18ND2 25C2 18C 58.80 18ND2 25C2 19CA 85.56 184CB 25C2 184CG 22.40 184CB 25C2 183O 59.35 184CB 25C2 184C 36.03 184CB 25C2 19CG 94.64 184CB 25C2 19N 96.61 184CB 25C2 184O 38.77 184CB 25C2 184NE1 52.96 184CB 25C2 184N 31.46 184CB 25C2 18CB 92.63 184CB 25C2 183C 46.49 184CB 25C2 18CA 85.24 184CB 25C2 18C 97.95 184CB 25C2 184CD2 31.97 242OH2 25C2 184C 81.46 242OH2 25C2 20CA 87.88 242OH2 25C2 184O 68.50 242OH2 25C2 20C 95.83 242OH2 25C2 18CB 73.69 242OH2 25C2 18CA 91.46 184CG 25C2 183O 61.89 184CG 25C2 184C 57.17 184CG 25C2 19CG 81.07 184CG 25C2 19N 97.59 184CG 25C2 184O 61.14 184CG 25C2 184NE1 30.80 184CG 25C2 184N 40.66 184CG 25C2 183C 50.54 184CG 25C2 18CA 97.12 184CG 25C2 184CD2 12.85 20O 25C2 19CG 59.65 20O 25C2 20CA 33.80 20O 25C2 19N 73.93 20O 25C2 184NE1 98.68 20O 25C2 20C 15.00 20O 25C2 19C 44.20 20O 25C2 18CB 98.94 20O 25C2 18CA 97.51 20O 25C2 18C 80.19 20O 25C2 19CA 58.60 183O 25C2 184C 52.11 183O 25C2 19CG 50.15 183O 25C2 20CA 94.61 183O 25C2 19N 37.44 183O 25C2 184O 68.46 183O 25C2 184NE1 67.20 183O 25C2 184N 28.51 183O 25C2 19C 66.39 183O 25C2 18CB 56.86 183O 25C2 183C 12.86 183O 25C2 18CA 39.61 183O 25C2 18C 42.74 183O 25C2 184CD2 73.55 183O 25C2 19CA 48.97 184C 25C2 19N 79.88 184C 25C2 184O 16.37 184C 25C2 184NE1 85.33 184C 25C2 184N 31.43 184C 25C2 18CB 58.56 184C 25C2 183C 43.26 184C 25C2 18CA 56.66 184C 25C2 18C 73.56 184C 25C2 184CD2 67.95 184C 25C2 19CA 95.56 19CG 25C2 20CA 68.54 19CG 25C2 19N 41.00 19CG 25C2 184NE1 59.71 19CG 25C2 20C 65.93 19CG 25C2 184N 72.99 19CG 25C2 19C 41.61 19CG 25C2 18CB 85.55 19CG 25C2 183C 58.81 19CG 25C2 18CA 69.73 19CG 25C2 18C 56.16 19CG 25C2 184CD2 84.49 19CG 25C2 19CA 31.40 20CA 25C2 19N 57.18 20CA 25C2 20C 19.60 20CA 25C2 19C 30.27 20CA 25C2 18CB 66.65 20CA 25C2 18CA 70.02 20CA 25C2 18C 55.87 20CA 25C2 19CA 47.75 19N 25C2 184O 94.75 19N 25C2 184NE1 91.69 19N 25C2 20C 69.08 19N 25C2 184N 65.26 19N 25C2 19C 30.47 19N 25C2 18CB 44.60 19N 25C2 183C 50.23 19N 25C2 18CA 30.19 19N 25C2 18C 15.21 19N 25C2 19CA 16.11 184O 25C2 184NE1 91.68 184O 25C2 184N 45.89 184O 25C2 18CB 65.91 184O 25C2 183C 59.15 184O 25C2 18CA 68.65 184O 25C2 18C 86.43 184O 25C2 184CD2 69.23 184NE1 25C2 184N 60.01 184NE1 25C2 183C 61.27 184NE1 25C2 184CD2 26.96 184NE1 25C2 19CA 89.32 20C 25C2 19C 38.71 20C 25C2 18CB 86.12 20C 25C2 18CA 87.75 20C 25C2 18C 71.80 20C 25C2 19CA 55.73 184N 25C2 19C 94.86 184N 25C2 18CB 68.81 184N 25C2 183C 15.92 184N 25C2 18CA 56.71 184N 25C2 18C 67.03 184N 25C2 184CD2 53.50 184N 25C2 19CA 77.48 19C 25C2 18CB 66.71 19C 25C2 183C 79.19 19C 25C2 18CA 54.22 19C 25C2 18C 36.38 19C 25C2 19CA 17.76 18CB 25C2 183C 63.21 18CB 25C2 18CA 18.13 18CB 25C2 18C 29.64 18CB 25C2 19CA 57.42 183C 25C2 18CA 47.76 183C 25C2 18C 54.26 183C 25C2 184CD2 62.80 183C 25C2 19CA 61.67 18CA 25C2 18C 17.97 18CA 25C2 19CA 45.40 18C 25C2 19CA 28.26 20O 25C3 19CG 77.70 20O 25C3 20N 48.86 20O 25C3 18OD1 82.41 20O 25C3 20C 15.02 20O 25C3 20CA 36.52 20O 25C3 19CD 82.71 20O 25C3 19C 49.69 20O 25C3 19N 81.60 20O 25C3 19CB 69.52 20O 25C3 18CG 93.56 20O 25C3 19OE1 97.10 20O 25C3 19CA 66.55 184CD1 25C3 19CG 70.95 184CD1 25C3 184NE1 20.32 184CD1 25C3 184CG 17.18 184CD1 25C3 19CD 63.15 184CD1 25C3 19N 84.37 184CD1 25C3 184CA 41.74 184CD1 25C3 183O 51.08 184CD1 25C3 19CB 82.21 184CD1 25C3 184CB 33.05 184CD1 25C3 18CG 99.94 184CD1 25C3 19OE1 48.60 184CD1 25C3 19CA 92.55 184CD1 25C3 184CE2 24.46 19CG 25C3 20N 60.87 19CG 25C3 18OD1 86.79 19CG 25C3 20C 80.83 19CG 25C3 184NE1 70.80 19CG 25C3 20CA 78.71 19CG 25C3 184CG 86.74 19CG 25C3 19CD 19.15 19CG 25C3 19C 46.56 19CG 25C3 19N 42.15 19CG 25C3 184CA 83.50 19CG 25C3 183O 50.42 19CG 25C3 19CB 14.34 19CG 25C3 184CB 93.55 19CG 25C3 18CG 90.03 19CG 25C3 19OE1 29.89 19CG 25C3 19CA 32.74 19CG 25C3 184CE2 83.95 20N 25C3 18OD1 40.95 20N 25C3 20C 38.02 20N 25C3 20CA 21.15 20N 25C3 19CD 78.19 20N 25C3 19C 14.72 20N 25C3 19N 36.90 20N 25C3 184CA 98.63 20N 25C3 183O 71.83 20N 25C3 19CB 46.57 20N 25C3 18CG 51.19 20N 25C3 19OE1 90.75 20N 25C3 19CA 30.28 20N 25C3 242OH2 86.06 18OD1 25C3 20C 67.75 18CD1 25C3 20CA 45.89 18OD1 25C3 19C 52.30 18OD1 25C3 19N 45.18 18OD1 25C3 184CA 70.04 18OD1 25C3 183O 62.55 18OD1 25C3 19CB 74.34 18OD1 25C3 184CB 86.92 18OD1 25C3 18CG 11.19 18OD1 25C3 19CA 55.77 18OD1 25C3 242OH2 51.35 20C 25C3 20CA 22.11 20C 25C3 19CD 90.19 20C 25C3 19C 43.18 20C 25C3 19N 73.89 20C 25C3 19CB 69.80 20C 25C3 18CG 78.83 20C 25C3 19CA 61.77 20C 25C3 242OH2 89.06 184NE1 25C3 184CG 32.04 184NE1 25C3 19CD 56.99 184NE1 25C3 19N 96.67 184NE1 25C3 184CA 61.92 184NE1 25C3 183O 67.54 184NE1 25C3 19CB 84.48 184NE1 25C3 184CB 50.65 184NE1 25C3 19OE1 42.30 184NE1 25C3 19CA 99.57 184NE1 25C3 184CE2 13.16 20CA 25C3 19CD 93.68 20CA 25C3 19C 32.85 20CA 25C3 19N 57.68 20CA 25C3 183O 91.89 20CA 25C3 19CB 64.99 20CA 25C3 18CG 57.06 20CA 25C3 19CA 50.80 20CA 25C3 242OH2 76.89 184CG 25C3 19CD 80.27 184CG 25C3 19N 91.72 184CG 25C3 184CA 34.06 184CG 25C3 183O 56.45 184CG 25C3 19CB 96.63 184CG 25C3 184CB 18.84 184CG 25C3 18CG 93.58 184CG 25C3 19OE1 65.78 184CG 25C3 184CE2 28.26 184CG 25C3 242OH2 94.95 19CD 25C3 19C 63.50 19CD 25C3 19N 60.85 19CD 25C3 184CA 88.20 19CD 25C3 183O 60.91 19CD 25C3 19CB 32.82 19CD 25C3 184CB 92.35 19CD 25C3 19OE1 14.96 19CD 25C3 19CA 51.66 19CD 25C3 184CE2 69.81 19C 25C3 19N 31.91 19C 25C3 184CA 98.36 19C 25C3 183O 66.62 19C 25C3 19CB 32.43 19C 25C3 18CG 61.26 19C 25C3 19OE1 76.35 19C 25C3 19CA 18.84 19N 25C3 184CA 66.70 19N 25C3 183O 35.29 19N 25C3 19CB 31.75 19N 25C3 184CB 85.03 19N 25C3 18CG 47.94 19N 25C3 19OE1 67.18 19N 25C3 19CA 17.97 19N 25C3 242OH2 95.18 184CA 25C3 183O 35.33 184CA 25C3 19CB 86.05 184CA 25C3 184CB 19.26 184CA 25C3 18CG 59.77 184CA 25C3 19OE1 78.16 184CA 25C3 19CA 83.25 184CA 25C3 184CE2 61.84 184CA 25C3 242OH2 75.15 183O 25C3 19CB 50.84 183O 25C3 184CB 51.32 183O 25C3 18CG 57.48 183O 25C3 19OE1 57.08 183O 25C3 19CA 49.31 183O 25C3 184CE2 75.42 183O 25C3 242OH2 96.01 19CB 25C3 184CB 99.69 19CB 25C3 18CG 79.10 19CB 25C3 19OE1 44.22 19CB 25C3 19CA 18.92 19CB 25C3 184CE2 97.58 184CB 25C3 18CG 76.03 184CB 25C3 19OE1 79.22 184CB 25C3 184CE2 46.73 184CB 25C3 242OH2 78.05 18CG 25C3 19CA 61.53 18CG 25C3 242OH2 47.27 19OE1 25C3 19CA 62.05 19OE1 25C3 184CE2 55.29 20O 25C4 20C 10.43 20O 25C4 19CG 62.30 20O 25C4 20N 35.25 20O 25C4 20CA 26.32 20O 25C4 19CD 71.57 20O 25C4 21NE2 50.82 20O 25C4 18OD1 61.89 184CD1 25C4 184NE1 20.27 184CD1 25C4 19CG 57.56 184CD1 25C4 184CG 16.41 184CD1 25C4 184CE2 28.68 184CD1 25C4 20N 90.35 184CD1 25C4 19CD 54.84 184CD1 25C4 18OD1 81.65 184CD1 25C4 184CD2 25.56 184NE1 25C4 19CG 61.65 184NE1 25C4 184CG 29.79 184NE1 25C4 184CE2 15.87 184NE1 25C4 19CD 51.78 184NE1 25C4 184CD2 25.93 20C 25C4 19CG 66.50 20C 25C4 20N 31.03 20C 25C4 20CA 17.90 20C 25C4 19CD 78.21 20C 25C4 21NE2 44.60 20C 25C4 18OD1 53.90 19CG 25C4 184CG 72.66 19CG 25C4 184CE2 77.52 19CG 25C4 20N 46.19 19CG 25C4 20CA 61.94 19CG 25C4 19CD 18.17 19CG 25C4 18OD1 63.67 19CG 25C4 184CD2 82.38 184CG 25C4 184CE2 28.98 184CG 25C4 20N 98.65 184CG 25C4 19CD 71.23 184CG 25C4 18OD1 82.35 184CG 25C4 184CD2 16.48 184CE2 25C4 19CD 67.12 184CE2 25C4 184CD2 16.42 20N 25C4 20CA 17.47 20N 25C4 19CD 63.14 20N 25C4 21NE2 68.18 20N 25C4 18OD1 30.69 20CA 25C4 19CD 77.50 20CA 25C4 21NE2 50.79 20CA 25C4 18OD1 36.03 19CD 25C4 18OD1 81.70 19CD 25C4 184CD2 76.27 21NE2 25C4 18OD1 71.09 18OD1 25C4 184CD2 98.63 184CD1 25C5 20O 89.99 184CD1 25C5 184NE1 17.97 184CD1 25C5 184CG 17.29 184CD1 25C5 184CE2 27.88 184CD1 25C5 242OH2 99.26 184CD1 25C5 184CD2 27.37 20O 25C5 184NE1 92.08 20O 25C5 242OH2 86.50 20O 25C5 21NE2 47.88 184NE1 25C5 184CG 28.79 184NE1 25C5 184CE2 16.62 184NE1 25C5 184CD2 27.40 184CG 25C5 184CE2 28.30 184CG 25C5 242OH2 92.08 184CG 25C5 184CD2 17.13 184CE2 25C5 184CD2 16.84 242OH2 25C5 21NE2 65.12 242OH2 25C6 184CB 96.30 242OH2 25C6 184CA 83.88 242OH2 25C6 18OD1 51.77 242OH2 25C6 184O 63.15 184CG 25C6 184CD1 17.92 184CG 25C6 184CB 19.89 184CG 25C6 184CD2 17.11 184CG 25C6 184NE1 27.45 184CG 25C6 184CA 31.62 184CG 25C6 18OD1 84.34 184CG 25C6 184O 53.51 184CD1 25C6 184CB 33.90 184CD1 25C6 184CD2 27.70 184CD1 25C6 184NE1 16.02 184CD1 25C6 184CA 37.26 184CD1 25C6 18OD1 76.75 184CD1 25C6 184O 64.28 184CB 25C6 184CD2 32.92 184CB 25C6 184NE1 46.79 184CB 25C6 184CA 18.16 184CB 25C6 18OD1 76.20 184CB 25C6 184O 33.78 184CD2 25C6 184NE1 26.79 184CD2 25C6 184CA 47.98 184CD2 25C6 184O 65.87 184NE1 25C6 184CA 53.03 184NE1 25C6 18OD1 88.79 184NE1 25C6 184O 79.21 184CA 25C6 18OD1 58.04 184CA 25C6 184O 28.15 18OD1 25C6 184O 61.50 20O 25C7 20C 4.43 20O 25C7 19CG 62.28 20O 25C7 19CD 77.38 20O 25C7 19NE2 74.82 20O 25C7 19OE1 90.67 184NE1 25C7 19CG 59.54 184NE1 25C7 19CD 53.46 184NE1 25C7 184CD1 17.49 184NE1 25C7 19NE2 66.80 184NE1 25C7 19OE1 40.08 184NE1 25C7 184CE2 14.60 20C 25C7 19CG 65.46 20C 25C7 19CD 81.18 20C 25C7 19NE2 79.11 20C 25C7 19OE1 94.22 19CG 25C7 19CD 19.72 19CG 25C7 184CD1 52.93 19CG 25C7 19NE2 30.67 19CG 25C7 19OE1 29.47 19CG 25C7 184CE2 74.12 19CD 25C7 184CD1 53.97 19CD 25C7 19NE2 16.35 19CD 25C7 19OE1 14.31 19CD 25C7 184CE2 67.37 184CD1 25C7 19NE2 69.74 184CD1 25C7 19OE1 43.73 184CD1 25C7 184CE2 26.87 19NE2 25C7 19OE1 26.90 19NE2 25C7 184CE2 79.58 19OE1 25C7 184CE2 53.50 184NE1 25O8 19CD 69.28 184NE1 25O8 19NE2 88.26 184NE1 25O8 19OE1 52.70 184NE1 25O8 19CG 72.15 184NE1 25O8 184CD1 18.62 184NE1 25O8 184CE2 15.78 184NE1 25O8 184CZ2 30.82 19CD 25O8 19NE2 21.45 19CD 25O8 19OE1 19.40 19CD 25O8 19CG 23.73 19CD 25O8 20O 83.60 19CD 25O8 184CD1 65.36 19CD 25O8 184CE2 84.12 19CD 25O8 22O 53.07 19CD 25O8 184CZ2 93.15 19NE2 25O8 19OE1 35.59 19NE2 25O8 19CG 38.13 19NE2 25O8 20O 82.17 19NE2 25O8 184CD1 86.56 19NE2 25O8 22O 36.04 19OE1 25O8 19CG 37.46 19OE1 25O8 184CD1 53.61 19OE1 25O8 184CE2 66.40 19OE1 25O8 22O 70.80 19OE1 25O8 184CZ2 73.99 19CG 25O8 20O 63.71 19CG 25O8 184CD1 60.70 19CG 25O8 184CE2 87.89 19CG 25O8 22O 54.69 20C 25O8 22O 57.31 184CD1 25O8 184CE2 30.67 184CD1 25O8 184CZ2 47.47 184CE2 25O8 184CZ2 16.93 19NE2 25C9 184NE1 78.75 19NE2 25C9 19CD 19.52 19NE2 25C9 19OE1 33.07 19NE2 25C9 184CE2 94.10 19NE2 25C9 19CG 30.70 19NE2 25C9 184CD1 73.44 19NE2 25C9 22O 33.46 184NE1 25C9 19CD 59.66 184NE1 25C9 19OE1 47.23 184NE1 25C9 184CE2 16.38 184NE1 25C9 184CZ2 33.08 184NE1 25C9 19CG 58.24 184NE4 25C9 184CD1 12.56 19CD 25C9 19OE1 17.75 19CD 25C9 184CE2 75.46 19CD 25C9 184CZ2 89.07 19CD 25C9 19CG 17.50 19CD 25C9 184CD1 53.92 19CD 25C9 22O 48.71 19OE1 25C9 184CE2 61.55 19OE1 25C9 184CZ2 73.08 19OE1 25C9 19CG 30.61 19OE1 25C9 184CD1 45.28 19OE1 25C9 22O 65.42 184CE2 25C9 184CZ2 17.56 184CE2 25C9 19CG 74.59 184CE2 25C9 184CD1 26.94 184CZ2 25C9 19CG 90.93 184CZ2 25C9 184CD1 44.43 19CG 25C9 184CD1 48.87 19CG 25C9 22O 48.21 184CD1 25C9 22O 97.02 19NE2 25O10 23CA 53.09 19NE2 25O10 19CD 16.71 19NE2 25O10 22O 36.83 19NE2 25O10 23N 57.66 19NE2 25O10 19OE1 28.25 19NE2 25O10 22C 50.13 23CA 25O10 19CD 69.80 23CA 25O10 22O 36.05 23CA 25O10 23N 17.68 23CA 25O10 19OE1 79.02 23CA 25O10 22C 29.83 19CD 25O10 22O 49.55 19CD 25O10 23N 73.42 19CD 25O10 19OE1 15.11 19CD 25O10 22C 63.87 22O 25O10 23N 27.96 22O 25O10 19CE1 63.96 22O 25O10 22C 14.56 23N 25O10 19OE1 85.79 23N 25O10 22C 15.87 19OE1 25O10 22C 77.94 162ND1 25C11 184CZ2 63.39 162ND1 25C11 162CE1 16.78 162ND1 25C11 184NE1 61.01 162ND1 25C11 184CE2 62.72 162ND1 25C11 162CG 15.67 162ND1 25C11 184CH2 68.93 162ND1 25C11 162CB 30.11 184CZ2 25C11 162CE1 53.21 184CZ2 25C11 184NE1 33.69 184CZ2 25C11 184CE2 16.65 184CZ2 25C11 162CG 59.25 184CZ2 25C11 184CH2 12.22 184CZ2 25C11 162CB 70.77 162CE1 25C11 184NE1 44.59 162CE1 25C11 184CE2 48.65 162CE1 25C11 162CG 27.93 162CE1 25C11 184CH2 61.58 162CE1 25C11 162CB 44.93 184NE1 25C11 184CE2 17.24 184NE1 25C11 162CG 67.01 184NE1 25C11 184CH2 45.73 184NE1 25C11 162CB 83.92 184CE2 25C11 162CG 63.63 184CE2 25C11 184CH2 28.52 184CE2 25C11 162CB 78.45 162CG 25C11 184CH2 61.52 162CG 25C11 162CB 17.47 184CH2 25C11 162CB 69.67 138OG 25C15 138CB 12.25 138OG 25C15 138CA 28.90 138OG 25C15 161OD1 38.49 138CB 25C15 138CA 18.42 138CB 25C15 161OD1 45.39 138CA 25C15 161OD1 48.24 162ND1 25C16 161O 83.50 162ND1 25C16 162CG 18.14 162ND1 25C16 162CE1 16.51 162ND1 25C16 162CB 37.71 162ND1 25C16 25SG 53.12 162ND1 25C16 162CA 45.79 162ND1 25C16 161C 76.59 162ND1 25C16 184CZ2 58.80 162ND1 25C16 25CB 44.47 162ND1 25C16 162N 61.56 162ND1 25C16 19OE1 54.44 161O 25C16 162CG 73.87 161O 25C16 162CE1 99.61 161O 25C16 162CB 55.47 161O 25C16 25SG 68.22 161O 25C16 162CA 38.54 161O 25C16 161C 12.03 161O 25C16 25CB 87.95 161O 25C16 162N 25.97 162CG 25C16 162CE1 32.06 162CG 25C16 162CB 21.17 162CG 25C16 25SG 64.52 162CG 25C16 162CA 35.58 162CG 25C16 161C 64.63 162CG 25C16 184CZ2 58.11 162CG 25C16 25CB 60.75 162CG 25C16 162N 48.98 162CG 25C16 19OE1 71.80 162CE1 25C16 162CB 53.00 162CE1 25C16 25SG 57.54 162CE1 25C16 162CA 62.27 162CE1 25C16 161C 93.08 162CE1 25C16 184CZ2 50.19 162CE1 25C16 25CB 42.26 162CE1 25C16 162N 78.06 162CE1 25C16 19OE1 40.00 162CB 25C16 25SG 70.05 162CB 25C16 162CA 20.87 162CB 25C16 161C 44.96 162CB 25C16 184CZ2 71.73 162CB 25C16 25CB 73.86 162CB 25C16 162N 29.56 162CB 25C16 19OE1 92.15 25SG 25C16 162CA 56.57 25SG 25C16 161C 72.16 25SG 25C16 25CB 21.35 25SG 25C16 162N 67.66 25SG 25C16 19OE1 58.28 162CA 25C16 161C 30.81 162CA 25C16 184CZ2 91.78 162CA 25C16 25CB 67.26 162CA 25C16 162N 16.41 162CA 25C16 19OE1 95.96 161C 25C16 25CB 89.77 161C 25C16 162N 15.65 184CZ2 25C16 25CB 89.70 184CZ2 25C16 19OE1 64.53 25CB 25C16 162N 81.65 25CB 25C16 19OE1 37.30 162ND1 25O17 162CB 53.19 162ND1 25O17 162CG 26.33 162ND1 25O17 162CA 63.48 162ND1 25O17 162N 85.18 162ND1 25O17 162CE1 12.84 162ND1 25O17 25SG 56.41 162ND1 25O17 162CD2 24.16 162ND1 25O17 162C 54.50 162ND1 25O17 162NE2 14.17 162ND1 25O17 184CZ2 59.71 162ND1 25O17 163N 47.86 162ND1 25O17 25CB 41.51 162CB 25O17 161O 76.56 162CB 25O17 162CG 28.45 162CB 25O17 162CA 28.85 162CB 25O17 161C 60.68 162CB 25O17 162N 40.36 162CB 25O17 162CE1 64.12 162CB 25O17 25SG 83.81 162CB 25O17 161OD1 58.91 162CB 25O17 162CD2 36.23 162CB 25O17 162C 31.62 162CB 25O17 162NE2 52.83 162CB 25O17 184CZ2 81.36 162CB 25O17 163N 44.40 162CB 25O17 25CB 83.22 162CB 25O17 161CA 66.51 162CB 25O17 161CB 74.63 161O 25O17 162CA 52.04 161O 25O17 161C 18.10 161O 25O17 162N 36.49 161O 25O17 25SG 77.20 161O 25O17 161OD1 60.19 161O 25O17 162C 58.32 161O 25O17 163N 63.78 161O 25O17 25CB 97.03 161O 25O17 161CA 21.34 161O 25O17 161CB 35.39 162CG 25O17 162CA 48.03 162CG 25O17 161C 86.77 162CG 25O17 162N 66.31 162CG 25O17 162CE1 35.94 162CG 25O17 25SG 73.55 162CG 25O17 161OD1 84.63 162CG 25O17 162CD2 9.57 162CG 25017 162C 43.30 162CG 25O17 162NE2 24.46 162CG 25O17 184CZ2 61.90 162CG 25O17 163N 46.12 162CG 25O17 25CB 64.34 162CG 25O17 161CA 94.08 162CA 25O17 161C 40.53 162CA 25O17 162N 22.22 162CA 25O17 162CE1 76.31 162CA 25O17 25SG 66.07 162CA 25O17 161OD1 63.93 162CA 25O17 162CD2 57.57 162CA 25O17 162C 11.05 162CA 25O17 162NE2 70.12 162CA 25O17 163N 26.62 162CA 25O17 25CB 74.60 162CA 25O17 161CA 50.08 162CA 25O17 161CB 64.72 161C 25O17 162N 20.53 161C 25O17 25SG 84.94 161C 25O17 161OD1 45.99 161C 25O17 162CD2 95.86 161C 25O17 162C 49.50 161C 25O17 163N 59.81 161C 25O17 161CA 11.07 161C 25O17 161CB 28.61 162N 25O17 162CE1 97.92 162N 25O17 25SG 81.29 162N 25O17 161OD1 46.28 162N 25O17 162CD2 75.34 162N 25O17 162C 32.79 162N 25O17 162NE2 90.12 162N 25O17 163N 46.59 162N 25O17 25CB 94.05 162N 25O17 161CA 28.47 162N 25O17 161CB 42.50 162CE1 25O17 25SG 60.41 162CE1 25O17 162CD2 30.63 162CE1 25O17 162C 67.29 162CE1 25O17 162NE2 14.05 162CE1 25O17 184CZ2 50.87 162CE1 25O17 163N 59.73 162CE1 25O17 25CB 42.09 25SG 25O17 162CD2 77.38 25SG 25017 162C 56.56 25SG 25O17 162NE2 70.26 25SG 25O17 163N 40.80 25SG 25O17 25CB 20.52 25SG 25017 161CA 94.97 161OD1 25O17 162CD2 88.85 161OD1 25O17 162C 74.74 161OD1 25O17 163N 90.55 161OD1 25O17 161CA 38.88 161OD1 25O17 161CB 28.90 162CD2 25O17 162C 52.76 162CD2 25O17 162NE2 17.33 162CD2 25O17 184CZ2 52.52 162CD2 25O17 163N 54.44 162CD2 25O17 25CB 65.18 162C 25O17 162NE2 62.89 162C 25O17 163N 16.06 162C 25O17 25CB 63.70 162C 25O17 161CA 59.72 162C 25O17 161CB 75.18 162NE2 25O17 184CZ2 46.51 162NE2 25O17 163N 59.43 162NE2 25O17 25CB 53.98 184CZ2 25O17 25CB 88.90 163N 25O17 25CB 48.07 163N 25O17 161CA 70.75 163N 25O17 161CB 87.59 161CA 25O17 161CB 17.64 25SG 25N18 162ND1 54.05 25SG 25N18 161O 72.12 25SG 25N18 25CB 22.85 25SG 25N18 19NE2 68.04 25SG 25N18 23CA 83.69 25SG 25N18 162CE1 55.83 25SG 25N18 162CA 54.53 25SG 25N18 19OE1 61.94 25SG 25N18 162CG 59.80 25SG 25N18 162CB 64.56 162ND1 25N18 161O 73.75 162ND1 25N18 25CB 47.82 162ND1 25N18 19NE2 80.11 162ND1 25N18 162CE1 14.94 162ND1 25N18 162CA 39.62 162ND1 25N18 19OE1 53.76 162ND1 25N18 162CG 12.62 162ND1 25N18 162CB 29.54 161O 25N18 25CB 91.76 161O 25N18 162CE1 88.51 161O 25N18 162CA 34.27 161O 25N18 162CG 63.44 161O 25N18 162CB 47.06 25CB 25N18 19NE2 48.54 25CB 25N18 23CA 78.61 25CB 25N18 162CE1 42.68 25CB 25N18 162CA 66.30 25CB 25N18 19OE1 39.11 25CB 25N18 162CG 58.13 25CB 25N18 162CB 69.62 19NE2 25N18 23CA 48.32 19NE2 25N18 162CE1 66.29 19NE2 25N18 19OE1 27.62 19NE2 25N18 162CG 92.70 23CA 25N18 19OE1 75.78 162CE1 25N18 162CA 54.27 162CE1 25N18 19OE1 39.27 162CE1 25N18 162CG 26.90 162CE1 25N18 162CB 44.19 162CA 25N18 19OE1 90.56 162CA 25N18 162CG 30.46 162CA 25N18 162CB 17.73 19OE1 25N18 162CG 66.12 19OE1 25N18 162CB 83.30 162CG 25N18 162CB 17.35 25SG 25C19 161O 94.77 25SG 25C19 162ND1 55.31 25SG 25C19 25CB 20.96 25SG 25C19 162CA 63.69 25SG 25C19 161C 89.52 25SG 25C19 23CA 94.30 25SG 25C19 23O 76.83 25SG 25C19 23C 78.19 25SG 25C19 162N 77.13 25SG 25C19 25N 39.34 25SG 25C19 19NE2 66.56 25SG 25C19 163N 35.68 25SG 25C19 162CE1 52.07 25SG 25C19 162CB 68.67 161O 25C19 162ND1 77.82 161O 25C19 162CA 38.27 161O 25C19 161C 6.45 161O 25C19 162N 21.62 161O 25C19 163N 59.92 161O 25C19 162CE1 90.20 161O 25C19 162CB 47.78 162ND1 25C19 25CB 49.17 162ND1 25C19 162CA 42.28 162ND1 25C19 161C 71.68 162ND1 25C19 162N 57.38 162ND1 25C19 25N 77.84 162ND1 25C19 19NE2 72.32 162ND1 25C19 163N 45.25 162ND1 25C19 162CE1 12.42 162ND1 25C19 162CB 30.12 25CB 25C19 162CA 73.53 25CB 25C19 23CA 82.52 25CB 25C19 23C 74.24 25CB 25C19 23C 70.22 25CB 25C19 162N 89.39 25CB 25C19 25N 30.03 25CB 25C19 19NE2 46.97 25CB 25C19 163N 50.32 25CB 25C19 162CE1 41.12 25CB 25C19 162CB 72.32 162CA 25C19 161C 31.82 162CA 25C19 162N 16.65 162CA 25C19 163N 29.20 162CA 25C19 162CE1 53.97 162CA 25C19 162CB 17.00 161C 25C19 162N 15.17 161C 25C19 163N 54.26 161C 25C19 162CE1 84.02 161C 25C19 162CB 41.75 23CA 25C19 23O 29.88 23CA 25C19 23C 18.55 23CA 25C19 25N 55.13 23CA 25C19 19NE2 45.62 23O 25C19 23C 14.86 23O 25C19 25N 44.51 23O 25C19 19NE2 58.93 23C 25C19 25N 40.60 23C 25C19 19NE2 45.52 162N 25C19 163N 41.46 162N 25C19 162CE1 69.54 162N 25C19 162CB 28.25 25N 25C19 19NE2 36.78 25N 25C19 163N 74.96 25N 25C19 162CE1 67.79 19NE2 25C19 163N 96.25 19NE2 25C19 162CE1 59.92 163N 25C19 162CE1 51.59 163N 25C19 162CB 39.57 162CE1 25C19 162CB 42.53 161O 25C20 25SG 71.78 161O 25C20 161C 1.07 25SG 25C20 23CA 80.86 25SG 25C20 23O 69.40 25SG 25C20 23C 68.41 25SG 25C20 161C 71.72 23CA 25C20 23O 30.94 23CA 25C20 23C 18.34 23O 25C20 23C 14.77 161C 25C21 161C 6.69 161O 25C22 161C 13.34 161C 25C22 161CA 34.90 161O 25C22 161CB 44.27 161C 25C22 161CA 21.77 161C 25C22 161CB 34.39 161CA 25C22 161CB 20.42 184NE1 25N24 184CZ2 42.68 184NE1 25N24 184CE2 21.38 184NE1 25N24 19OE1 49.07 184NE1 25N24 162ND1 68.83 184NE1 25N24 162CE1 51.55 184NE1 25N24 19CD 58.30 184NE1 25N24 19NE2 75.34 184NE1 25N24 184CD1 9.07 184NE1 25N24 184CH2 51.38 184CZ2 25N24 184CE2 21.94 184CZ2 25N24 19OE1 85.09 184CZ2 25N24 162ND1 64.71 184CZ2 25N24 162CE1 57.67 184CZ2 25N24 19CD 98.31 184CZ2 25N24 184CD1 50.33 184CZ2 25N24 184CH2 9.57 184CE2 25N24 19OE1 68.35 184CE2 25N24 162ND1 68.77 184CE2 25N24 162CE1 55.33 184CE2 25N24 19CD 79.25 184CE2 25N24 19NE2 96.20 184CE2 25N24 184CD1 28.46 184CE2 25N24 184CH2 30.12 19OE1 25N24 162ND1 58.04 19OE1 25N24 162CE1 44.62 19OE1 25N24 19CD 16.03 19OE1 25N24 19NE2 29.68 19OE1 25N24 184CD1 47.21 19OE1 25N24 184CH2 94.65 162ND1 25N24 162CE1 18.14 162ND1 25N24 19CD 72.35 162ND1 25N24 19NE2 76.87 162ND1 25N24 184CD1 75.84 162ND1 25N24 184CH2 69.90 162CE1 25N24 19CD 60.33 162CE1 25N24 19NE2 69.25 162CE1 25N24 184CD1 58.03 162CE1 25N24 184CH2 65.20 19CD 25N24 19NE2 17.04 19CD 25N24 184CD1 53.84 19NE2 25N24 184CD1 70.73 184CD1 25N24 184CH2 58.50 25SG 25C25 25CB 32.75 25SG 25C25 25N 68.12 25SG 25C25 25CA 46.11 25SG 25C25 19NE2 91.26 25SG 25C25 162ND1 50.45 25SG 25C25 161O 83.98 25SG 25C25 26N 50.26 25SG 25C25 25C 39.24 25SG 25C25 24C 75.91 25SG 25C25 163N 26.06 25SG 25C25 19OE1 68.77 25SG 25C25 162CA 52.77 25SG 25C25 162CE1 48.87 25SG 25C25 24CA 93.64 25SG 25C25 19CD 79.92 25CB 25C25 25N 43.75 25CB 25C25 25CA 22.80 25CB 25C25 23C 96.85 25CB 25C25 19NE2 58.71 25CB 25C25 162ND1 52.80 25CB 25C25 24N 79.85 25CB 25C25 26N 49.57 25CB 25C25 25C 32.45 25CB 25C25 24C 53.95 25CB 25C25 163N 56.86 25CB 25C25 19OE1 39.72 25CB 25C25 162CA 76.70 25CB 25C25 162CE1 41.55 25CB 25C25 24CA 71.02 25CB 25C25 19CD 48.30 25N 25C25 23O 61.20 25N 25C25 25CA 22.53 25N 25C25 23C 54.87 25N 25C25 23CA 71.33 25N 25C25 19NE2 46.58 25N 25C25 162ND1 94.33 25N 25C25 24N 38.82 25N 25C25 26N 37.62 25N 25C25 25C 32.96 25N 25C25 24C 10.58 25N 25C25 163N 94.01 25N 25C25 19OE1 53.89 25N 25C25 162CE1 80.69 25N 25C25 24CA 27.34 25N 25C25 19CD 48.28 23O 25C25 25CA 82.78 23O 25C25 23C 18.78 23O 25C25 23CA 35.84 23O 25C25 19NE2 73.70 23O 25C25 24N 31.06 23O 25C25 26N 72.39 23O 25C25 25C 83.36 23O 25C25 24C 51.02 23O 25C25 19OE1 99.77 23O 25C25 24CA 34.14 23O 25C25 19CD 86.19 25CA 25C25 23C 77.38 25CA 25C25 23CA 92.63 25CA 25C25 19NE2 55.22 25CA 25C25 162ND1 75.50 25CA 25C25 24N 61.07 25CA 25C25 26N 33.30 25CA 25C25 25C 18.88 25CA 25C25 24C 31.91 25CA 25C25 163N 72.17 25CA 25C25 19OE1 48.70 25CA 25C25 162CA 96.87 25CA 25C25 162CE1 63.50 25CA 25C25 24CA 49.61 25CA 25C25 19CD 50.26 23C 25C25 23CA 22.22 23C 25C25 19NE2 55.76 23C 25C25 24N 17.04 23C 25C25 26N 77.83 23C 25C25 25C 83.98 23C 25C25 24C 46.58 23C 25C25 19OE1 82.85 23C 25C25 24CA 28.93 23C 25C25 19CD 68.78 23CA 25C25 19NE2 53.36 23CA 25C25 24N 33.27 23CA 25C25 26N 99.45 23CA 25C25 24C 65.16 23CA 25C25 19OE1 80.77 23CA 25C25 24CA 48.92 23CA 25C25 19CD 66.76 19NE2 25C25 162ND1 78.91 19NE2 25C25 24N 43.72 19NE2 25C25 26N 83.54 19NE2 25C25 25C 73.61 19NE2 25C25 24C 50.86 19NE2 25C25 19OE1 27.88 19NE2 25C25 162CE1 65.60 19NE2 25C25 24CA 51.46 19NE2 25C25 19CD 13.57 162ND1 25C25 161O 66.11 162ND1 25C25 26N 97.49 162ND1 25C25 25C 81.90 162ND1 25C25 163N 47.00 162ND1 25C25 19OE1 52.01 162ND1 25C25 162CA 38.64 162ND1 25C25 162CE1 14.60 162ND1 25C25 19CD 65.91 161O 25C25 163N 58.15 161O 25C25 162CA 33.71 161O 25C25 162CE1 80.71 24N 25C25 26N 67.35 24N 25C25 25C 70.00 24N 25C25 24C 31.89 24N 25C25 19OE1 68.76 24N 25C25 24CA 16.51 24N 25C25 19CD 55.45 26N 25C25 25C 17.1l 26N 25C25 24C 37.71 26N 25C25 163N 70.13 26N 25C25 19OE1 81.99 26N 25C25 162CA 99.71 26N 25C25 162CE1 89.75 26N 25C25 24CA 50.94 26N 25C25 19CD 82.06 25C 25C25 24C 38.11 25C 25C25 163N 63.33 25C 25C25 19OE1 66.63 25C 25C25 162CA 91.85 25C 25C25 162CE1 73.03 25C 25C25 24CA 55.12 25C 25C25 19CD 69.13 24C 25C25 19OE1 62.72 24C 25C25 162CE1 91.22 24C 25C25 24CA 17.90 24C 25C25 19CD 55.23 163N 25C25 19OE1 86.02 163N 25C25 162CA 29.58 163N 25C25 162CE1 53.83 163N 25C25 19CD 99.46 19OE1 25C25 162CA 90.22 19OE1 25C25 162CE1 38.06 19OE1 25C25 24CA 71.30 19OE1 25C25 19CD 14.33 162CA 25C25 162CE1 52.16 162CE1 25C25 19CD 52.25 24CA 25C25 19CD 60.28 25SG 25O26 25N 75.08 25SG 25O26 25CB 37.30 25SG 25O26 25CA 54.02 25SG 25O26 24C 86.45 25SG 25O26 19CD 97.95 25SG 25O26 19OE1 82.42 25SG 25O26 25C 45.95 25SG 25O26 26N 51.16 25SG 25O26 162ND1 46.91 25SG 25O26 162CE1 52.51 25N 25O26 23C 71.27 25N 25O26 25CB 49.91 25N 25O26 23CA 95.71 25N 25O26 19NE2 63.43 25N 25O26 23O 74.28 25N 25O26 24N 51.65 25N 25O26 25CA 24.00 25N 25O26 24C 13.92 25N 25O26 19CD 63.32 25N 25O26 19OE1 66.78 25N 25O26 24CA 35.47 25N 25O26 23N 92.49 25N 25O26 22O 75.23 25N 25O26 25C 29.57 25N 25O26 26N 34.00 25N 25O26 162ND1 97.43 25N 25O26 22C 83.38 25N 25O26 162CE1 86.18 23C 25O26 23CA 29.24 23C 25O26 19NE2 77.74 23C 25O26 23O 22.63 23C 25O26 24N 23.28 23C 25O26 25CA 95.23 23C 25O26 24C 57.44 23C 25O26 19CD 92.50 23C 25O26 24CA 35.81 23C 25O26 23N 31.40 23C 25O26 22O 45.44 23C 25O26 25C 94.92 23C 25O26 26N 85.14 23C 25O26 22C 36.80 25CB 25O26 19NE2 75.38 25CB 25O26 25CA 26.07 25CB 25O26 24C 63.79 25CB 25O26 19CD 62.61 25CB 25O26 19OE1 50.03 25CB 25O26 24CA 85.37 25CB 25O26 25C 32.00 25CB 25O26 26N 48.03 25CB 25O26 162ND1 48.42 25CB 25O26 162CE1 40.75 23CA 25O26 19NE2 74.13 23CA 25O26 23O 44.84 23CA 25O26 24N 44.10 23CA 25O26 24C 82.84 23CA 25O26 19CD 89.48 23CA 25O26 24CA 61.85 23CA 25O26 23N 7.91 23CA 25O26 22O 37.03 23CA 25O26 22C 22.99 19NE2 25O26 23O 99.02 19NE2 25O26 24N 59.57 19NE2 25O26 25CA 69.12 19NE2 25O26 24C 64.61 19NE2 25O26 19CD 15.61 19NE2 25O26 23N 66.26 19NE2 25O26 22O 37.24 19NE2 25O26 25C 85.04 19NE2 25O26 26N 96.39 19NE2 25O26 162ND1 87.10 19NE2 25O26 22C 51.16 19NE2 25O26 162CE1 72.58 23O 25O26 24N 40.19 23O 25O26 25CA 95.80 23O 25O26 24C 61.05 23O 25O26 24CA 42.72 23O 25O26 23N 49.93 23O 25O26 22O 68.06 23O 25O26 25C 89.22 23O 25O26 26N 75.10 23O 25O26 22C 58.63 24N 25O26 25CA 75.32 24N 25O26 24C 38.83 24N 25O26 19CD 72.68 24N 25O26 19OE1 88.39 24N 25O26 24CA 19.05 24N 25O26 23N 41.71 24N 25O26 22O 37.44 24N 25O26 25C 79.23 24N 25O26 26N 74.55 24N 25O26 22C 37.15 25CA 25O26 24C 37.79 25CA 25O26 19CD 62.07 25CA 25O26 19OE1 57.50 25CA 25O26 24CA 59.43 25CA 25O26 22O 92.92 25CA 25O26 25C 16.48 25CA 25O26 26N 31.94 25CA 25O26 162ND1 74.28 25CA 25O26 162CE1 64.77 24C 25O26 19CD 68.53 24C 25O26 19OE1 75.73 24C 25O26 24CA 21.65 24C 25O26 23N 80.40 24C 25O26 22O 67.31 24C 25O26 25C 40.54 24C 25O26 26N 39.44 24C 25O26 22C 73.15 24C 25O26 162CE1 99.55 19CD 25O26 19OE1 17.61 19CD 25O26 24CA 75.72 19CD 25O26 23N 81.58 19CD 25O26 22O 52.77 19CD 25O26 25C 78.56 19CD 25O26 26N 92.72 19CD 25O26 162ND1 71.98 19CD 25O26 22C 66.59 19CD 25O26 162CE1 57.18 19OE1 25O26 24CA 87.94 19OE1 25O26 23N 98.65 19OE1 25O26 22O 70.22 19OE1 25O26 25C 73.17 19OE1 25O26 26N 89.43 19OE1 25O26 162ND1 54.76 19OE1 25O26 22C 83.88 19OE1 25O26 162CE1 39.72 24CA 25O26 23N 60.38 24CA 25O26 22O 54.26 24CA 25O26 25C 60.91 24CA 25O26 26N 55.50 24CA 25O26 22C 56.01 23N 25O26 22O 29.27 23N 25O26 22C 15.20 22O 25O26 22C 14.07 25C 25O26 26N 16.90 25C 25O26 162ND1 78.47 25C 25O26 162CE1 72.68 26N 25O26 162ND1 91.53 26N 25O26 162CE1 88.05 162ND1 25O26 162CE1 15.41 25SG 25C27 25N 57.08 25SG 25C27 25CB 21.02 25SG 25C27 26N 58.38 25SG 25C27 25CA 39.38 25SG 25C27 24N 91.00 25SG 25C27 24C 70.32 25SG 25C27 25C 43.75 25SG 25C27 161O 68.95 25SG 25C27 26CB 82.20 25SG 25C27 24CA 87.49 25SG 25C27 26CG 96.26 23C 25C27 23C 18.46 23O 25C27 25N 62.85 23O 25C27 65CA 58.88 23O 25C27 25CB 97.75 23O 25C27 26CD1 56.83 23O 25C27 26N 82.95 23O 25C27 23CA 34.44 23O 25C27 25CA 81.88 23O 25C27 24N 28.16 23O 25C27 24C 51.85 23O 25C27 25C 88.07 23O 25C27 65N 46.70 23O 25C27 26CB 86.79 23O 25C27 66N 79.07 23O 25C27 24CA 33.37 23O 25C27 26CG 69.96 23O 25C27 65C 66.97 23C 25C27 25N 53.34 23C 25C27 65CA 76.45 23C 25C27 25CB 84.25 23C 25C27 26CD1 70.76 23C 25C27 26N 83.38 23C 25C27 23CA 21.08 23C 25C27 25CA 72.15 23C 25C27 24N 15.52 23C 25C27 24C 46.42 23C 25C27 25C 83.42 23C 25C27 65N 62.90 23C 25C27 26CB 96.45 23C 25C27 66N 97.46 23C 25C27 24CA 29.98 23C 25C27 26CG 81.94 23C 25C27 65C 85.36 25N 25C27 25CB 36.48 25N 25C27 26CD1 68.71 25N 25C27 26N 39.49 25N 25C27 23CA 66.25 25N 25C27 25CA 19.15 25N 25C27 24N 37.84 25N 25C27 24C 14.42 25N 25C27 25C 31.97 25N 25C27 26CB 68.32 25N 25C27 24CA 30.42 25N 25C27 26CG 67.30 65CA 25C27 26CD1 53.12 65CA 25C27 23CA 82.66 65CA 25C27 24N 86.51 65CA 25C27 24C 98.45 65CA 25C27 65N 15.90 65CA 25C27 26CB 77.82 65CA 25C27 66N 30.25 65CA 25C27 24CA 84.16 65CA 25C27 26CG 63.87 65CA 25C27 65C 14.85 25CB 25C27 26CD1 96.07 25CB 25C27 26N 48.98 25CB 25C27 23CA 88.62 25CB 25C27 25CA 20.65 25CB 25C27 24N 70.19 25CB 25C27 24C 50.31 25CB 25C27 25C 32.85 25CB 25C27 161O 88.13 25CB 25C27 26CB 78.77 25CB 25C27 24CA 66.76 25CB 25C27 26CG 88.03 26CD1 25C27 26N 49.41 26CD1 25C27 23CA 90.70 26CD1 25C27 25CA 76.35 26CD1 25C27 24N 67.23 26CD1 25C27 24C 55.82 26CD1 25C27 25C 64.70 26CD1 25C27 65N 58.91 26CD1 25C27 26CB 32.69 26CD1 25C27 66N 42.33 26CD1 25C27 24CA 52.50 26CD1 25C27 26CG 14.60 26CD1 25C27 65C 44.57 26N 25C27 25CA 33.28 26N 25C27 24N 69.36 26N 25C27 24C 38.31 26N 25C27 25C 16.13 26N 25C27 26CB 31.48 26N 25C27 66N 83.54 26N 25C27 24CA 53.43 26N 25C27 26CG 39.23 26N 25C27 65C 91.88 23CA 25C27 25CA 82.90 23CA 25C27 24N 32.54 23CA 25C27 24C 63.47 23CA 25C27 25C 98.17 25CA 25C27 65N 67.00 23CA 25C27 24CA 49.60 23CA 25C27 65C 95.04 25CA 25C27 24N 56.77 25CA 25C27 24C 31.07 25CA 25C27 25C 19.16 25CA 25C27 26CB 64.76 25CA 25C27 24CA 48.93 25CA 25C27 26CG 70.17 24N 25C27 24C 31.48 24N 25C27 25C 68.08 24N 25C27 65N 74.86 24N 25C27 26CB 87.15 24N 25C27 24CA 17.56 24N 25C27 26CG 75.54 24N 25C27 65C 92.54 24C 25C27 25C 37.23 24C 25C27 65N 93.14 24C 25C27 26CB 61.81 24C 25C27 66N 98.06 24C 25C27 24CA 18.48 24C 25C27 26CG 56.79 24C 25C27 65C 96.78 25C 25C27 26CB 46.70 25C 25C27 66N 99.53 25C 25C27 24CA 55.28 25C 25C27 26CG 55.30 65N 25C27 26CB 88.24 65N 25C27 66N 45.67 65N 25C27 24CA 76.36 65N 25C27 26CG 72.00 65N 25C27 65C 30.06 26CB 25C27 66N 53.44 26CB 25C27 24CA 69.63 26CB 25C27 26CG 18.09 26CB 25C27 65C 64.59 66N 25C27 24CA 91.56 66N 25C27 26CG 45.61 66N 25C27 65C 15.61 24CA 25C27 26CG 58.92 24CA 25C27 65C 85.96 26CG 25C27 65C 52.65 25SG 25028 161O 76.60 25SG 25028 23O 80.25 25SG 25028 26CD1 87.41 25SG 25028 26N 47.59 25SG 25028 26CB 75.36 25SG 25028 161C 77.06 25SG 25028 25CB 9.94 25SG 25028 163N 39.01 65CA 25028 23O 50.13 65CA 25028 66N 33.41 65CA 25028 66O 67.54 65CA 25028 26CD1 48.79 65CA 25028 65C 17.37 65CA 25028 26N 90.83 65CA 25028 26CB 76.12 161O 25028 161C 10.43 161O 25028 25CB 85.93 161O 25028 163N 57.90 23O 25028 66N 73.33 23O 25028 66O 98.34 23O 25028 26CD1 46.36 23O 25028 65C 62.14 23O 25028 26N 63.88 23O 25028 26CB 73.66 23O 25028 25CB 70.99 66N 25028 66O 34.18 66N 25028 26CD1 42.77 66N 25028 65C 16.09 66N 25028 26N 80.82 66N 25028 26CB 55.05 66O 25028 26CD1 53.93 66O 25028 65C 50.27 66O 25028 26N 71.20 66O 25028 26CB 41.80 66O 25028 163N 96.32 26CD1 25028 65C 44.16 26CD1 25028 26N 42.70 26CD1 25028 26CB 31.40 26CD1 25028 25CB 78.43 65C 25028 26N 86.36 65C 25028 26CB 65.21 26N 25028 26CB 29.67 26N 25028 25CB 40.69 26N 25028 163N 65.13 26CB 25028 25CB 69.78 26CB 25028 163N 79.13 161C 25028 25CB 86.86 161C 25028 163N 52.19 25CB 25028 163N 47.47 66O 25C29 66N 48.91 66O 25C29 65CA 91.41 66O 25C29 65C 68.29 66O 25C29 66C 13.27 66O 25C29 26CD1 67.50 66O 25C29 66CA 34.11 66O 25C29 26CB 50.71 66O 25C29 26CG 54.55 66O 25C29 65N 99.08 66O 25C29 65O 66.95 66O 25C29 26N 80.09 66N 25C29 65CA 42.87 66N 25C29 65C 19.38 66N 25C29 66C 36.24 66N 25C29 26CD1 51.44 66N 25C29 66CA 15.57 66N 25C29 26CB 68.44 66N 25C29 26CG 54.31 66N 25C29 23O 78.55 66N 25C29 65N 50.66 66N 25C29 65O 18.11 66N 25C29 26N 91.42 65CA 25C29 65C 23.73 65CA 25C29 66C 79.07 65CA 25C29 26CD1 55.65 65CA 25C29 66CA 58.35 65CA 25C29 26CB 89.86 65CA 25C29 26CG 70.46 65CA 25C29 23O 47.25 65CA 25C29 65N 7.81 65CA 25C29 65O 25.70 65CA 25C29 26N 94.75 65C 25C29 66C 55.59 65C 25C29 26CD1 52.52 65C 25C29 66CA 34.70 65C 25C29 26CB 79.47 65C 25C29 26CG 61.82 65C 25C29 23O 65.09 65C 25C29 65N 31.53 65C 25C29 65O 2.78 65C 25C29 26N 95.49 66C 25C29 26CD1 64.26 66C 25C29 66CA 21.04 66C 25C29 26CB 56.28 66C 25C29 26CG 54.75 66C 25C29 65N 86.84 66C 25C29 65O 54.09 66C 25C29 26N 86.08 26CD1 25C29 66CA 57.66 26CD1 25C29 26CB 35.62 26CD1 25C29 25SG 81.23 26CD1 25C29 26CG 17.23 26CD1 25C29 23O 45.73 26CD1 25C29 65N 58.39 26CD1 25C29 65O 54.62 26CD1 25C29 26N 42.97 66CA 25C29 26CB 64.36 66CA 25C29 26CG 54.97 66CA 25C29 23O 92.04 66CA 25C29 65N 66.15 66CA 25C29 65O 33.08 66CA 25C29 26N 91.66 26CB 25C29 25SG 73.09 26CB 25C29 26CG 19.41 26CB 25C29 23O 74.83 26CB 25C29 65N 93.60 26CB 25C29 65O 80.55 26CB 25C29 26N 29.84 25SG 25C29 26CG 81.03 25SG 25C29 23O 65.42 25SG 25C29 161O 57.72 25SG 25C29 26N 44.40 26CG 25C29 23O 61.35 26CG 25C29 65N 74.27 26CG 25C29 65O 63.28 26CG 25C29 26N 37.32 23O 25C29 65N 42.49 23O 25C29 65O 67.82 23O 25C29 26N 59.60 65N 25C29 65O 33.46 65N 25C29 26N 94.60 65O 25C29 26N 97.54 66O 25C30 66N 43.16 66O 25C30 66C 13.69 66O 25C30 65CA 74.47 66O 25C30 66CA 31.15 66O 25C30 65C 58.33 66N 25C30 66C 35.28 66N 25C30 65CA 33.44 66N 25C30 66CA 17.60 66N 25C30 65C 15.22 66C 25C30 65CA 68.55 66C 25C30 66CA 19.80 66C 25C30 65C 50.23 65CA 25C30 66CA 50.69 65CA 25C30 65C 19.75 66CA 25C30 65C 31.38 66O 25C31 66C 9.16 66O 25C31 66N 30.51 66O 25C31 163CB 81.88 161O 25C30 161C 15.04 161O 25C31 163CB 81.82 161O 25C31 160O 59.31 66C 25C31 66N 28.88 66C 25C31 163CB 90.84 161C 25C31 163CB 80.88 161C 25C31 160O 48.22 66N 25C31 163CB 97.56

TABLE XII Table of angles between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor bis-(Cbz-leucinyl)-1,3-diamino-propan-2-one Atom 1 Atom 2 Atom 3 Angle Atom 1 Atom 2 Atom 3 Angle 184CB 25C1 184CG 21.22 184CB 25C1 18OD1 72.94 184CB 25C1 184CD1 35.50 184CB 25C1 184CA 19.59 184CB 25C1 184CD2 33.67 184CB 25C1 184O 34.28 184CB 25C1 184C 30.67 184CG 25C1 18OD1 81.92 184CG 25C1 184CD1 18.31 184CG 25C1 184CA 34.17 184CG 25C1 184CD2 16.99 184CG 25C1 184O 55.47 184CG 25C1 184C 50.07 18OD1 25C1 184CD1 74.79 18OD1 25C1 184CA 53.36 18OD1 25C1 184CD2 98.79 18OD1 25C1 184O 61.42 18OD1 25C1 184C 50.27 184CD1 25C1 184CA 39.83 184CD1 25C1 184CD2 28.30 184CD1 25C1 184O 67.35 184CD1 25C1 184C 57.99 184CA 25C1 184CD2 50.19 184CA 25C1 184O 29.82 184CA 2SC1 184C 18.22 184CD2 25C1 184O 66.46 184CD2 2SC1 184C 64.29 184O 25C1 184C 14.58 18OD1 25C2 184CD1 93.56 18OD1 25C2 184CB 85.20 18OD1 25C2 184CA 63.93 18OD1 25C2 184CG 97.27 18OD1 25C2 18CG 7.95 18OD1 25C2 20O 82.27 18OD1 25C2 20N 45.49 18OD1 25C2 184C 56.77 18OD1 25C2 18ND2 22.89 18OD1 25C2 20CA 55.50 18OD1 25C2 184O 66.85 18OD1 25C2 20C 72.94 18OD1 25C2 19CG 66.66 184CD1 25C2 184CB 36.96 184CD1 25C2 184CA 43.35 184CD1 25C2 184CG 19.17 184CD1 25C2 20O 93.58 184CD1 25C2 20N 91.27 184CD1 25C2 184C 62.15 184CD1 25C2 184NE1 14.42 184CD1 25C2 184O 68.85 184CD1 25C2 19CG 47.81 184CB 25C2 184CA 21.51 184CB 25C2 184CG 20.93 184CB 25C2 18CG 90.69 184CB 25C2 184C 32.58 184CB 25C2 184NE1 48.17 184CB 25C2 184O 33.58 184CB 25C2 19CG 75.81 184CA 25C2 184CG 35.93 184CA 25C2 18CG 69.84 184CA 25C2 20N 91.24 184CA 25C2 184C 19.09 184CA 25C2 18ND2 85.37 184CA 25C2 184NE1 57.50 184CA 25C2 184O 29.61 184CA 25C2 19CG 65.69 184CG 25C2 184C 51.91 184CG 25C2 184NE1 27.66 184CG 25C2 184O 54.51 184CG 25C2 19CG 65.63 18CG 25C2 20O 83.37 18CG 25C2 20N 47.67 18CG 25C2 184C 60.57 18CG 25C2 18ND2 15.73 18CG 25C2 20CA 54.96 18CG 25C2 184O 69.03 18CG 25C2 20C 72.82 18CG 25C2 19CG 73.59 20O 25C2 20N 37.03 20O 25C2 18ND2 77.52 20O 25C2 20CA 29.71 20O 25C2 184NE1 87.40 20O 25C2 20C 13.14 20O 25C2 19CG 52.69 20N 25C2 184C 94.70 20N 25C2 18ND2 46.43 20N 25C2 20CA 17.58 20N 25C2 184NE1 94.15 20N 25C2 20C 29.99 20N 25C2 19CG 44.09 184C 25C2 18ND2 74.66 184C 25C2 184NE1 76.04 184C 25C2 184O 14.64 184C 25C2 19CG 80.33 18ND2 25C2 20CA 47.82 18ND2 25C2 184O 81.12 18ND2 25C2 20C 65.32 18ND2 25C2 19CG 81.86 20CA 25C2 20C 17.90 20CA 25C2 19CG 58.30 184NE1 25C2 184O 81.39 184NE1 25C2 20C 98.78 184NE1 25C2 19CG 50.29 184O 25C2 19CG 94.21 20C 25C2 19CG 58.17 20O 25C3 18OD1 94.92 20O 25C3 20C 14.93 20O 25C3 20N 45.22 20O 25C3 20CA 34.91 20O 25C3 19CG 67.31 20O 25C3 18CG 90.10 20O 25C3 19C 44.11 20O 25C3 19CD 68.85 18OD1 25C3 20C 83.09 18OD1 25C3 20N 50.73 18OD1 25C3 184CD1 86.70 18OD1 25C3 20CA 61.59 18OD1 25C3 19CG 73.40 18OD1 25C3 184CG 83.83 18OD1 25C3 18CG 7.01 18OD1 25C3 184CB 69.00 18OD1 25C3 184CA 52.51 18OD1 25C3 19C 56.82 18OD1 25C3 19CD 89.80 20C 25C3 20N 36.79 20C 25C3 20CA 21.55 20C 25C3 19CG 72.42 20C 25C3 18CG 77.56 20C 25C3 19C 39.99 20C 25C3 19CD 77.92 20N 25C3 20CA 20.57 20N 25C3 19CG 52.06 20N 25C3 18CG 47.19 20N 25C3 184CA 88.94 20N 25C3 19C 12.18 20N 25C3 19CD 65.92 184CD1 25C3 19CG 54.41 184CD1 25C3 184CG 17.14 184CD1 25C3 184NE1 17.22 184CD1 25C3 18CG 93.47 184CD1 25C3 184CB 32.16 184CD1 25C3 184CA 38.24 184CD1 25C3 19C 92.25 184CD1 25C3 19CD 49.63 20CA 25C3 19CG 69.55 20CA 25C3 18CG 56.01 20CA 25C3 19C 29.66 20CA 25C3 19CD 80.70 19CG 25C3 184CG 69.80 19CG 25C3 184NE1 57.02 19CG 25C3 18CG 76.04 19CG 25C3 184CB 76.30 19CG 25C3 184CA 66.22 19CG 25C3 19C 40.46 19CG 25C3 19CD 16.92 184CG 25C3 184NE1 28.96 184CG 25C3 18CG 90.83 184CG 25C3 184CB 18.06 184CG 25C3 184CA 31.35 184CG 25C3 19CD 66.65 184NE1 25C3 184CB 46.68 184NE1 25C3 184CA 55.31 184NE1 25C3 19C 97.43 184NE1 25C3 19CD 46.53 18CG 25C3 184CB 75.84 18CG 25C3 184CA 59.51 18CG 25C3 19C 54.70 18CG 25C3 19CD 92.81 184CB 25C3 184CA 18.20 184CB 25C3 19CD 77.96 184CA 25C3 19C 86.12 184CA 25C3 19CD 72.78 19C 25C3 19CD 53.79 20O 25C4 20C 9.86 20O 25C4 19CG 57.67 20O 25C4 18OD1 69.35 20O 25C4 20N 32.43 184CD1 25C4 184NE1 18.35 184CD1 25C4 184CG 15.96 184CD1 25C4 19CG 48.28 184CD1 25C4 184CE2 26.62 184CD1 25C4 18OD1 68.05 184CD1 25C4 20N 82.80 184NE1 25C4 184CG 27.99 184NE1 25C4 19CG 53.65 184NE1 25C4 184CE2 15.20 184NE1 25C4 18OD1 85.79 184NE1 25C4 20N 94.26 20C 25C4 19CG 62.70 20C 25C4 18OD1 63.89 20C 25C4 20N 29.77 184CG 25C4 19CG 62.53 184CG 25C4 184CE2 27.11 184CG 25C4 18OD1 67.71 184CG 25C4 20N 91.33 19CG 25C4 184CE2 68.70 19CG 25C4 18OD1 57.18 19CG 25C4 20N 42.85 184CE2 25C4 18OD1 93.39 18OD1 25C4 20N 37.93 184CD1 25C5 184NE1 17.38 184CD1 25C5 20O 82.23 184CD1 25C5 184CG 16.75 184CD1 25C5 184CE2 27.59 184CD1 25C5 184CD2 27.17 184NE1 25C5 20O 86.19 184NE1 25C5 184CG 27.91 184NE1 25C5 184CE2 16.68 184NE1 25C5 184CD2 27.27 20O 25C5 184CG 96.36 184CG 25C5 184CE2 27.86 184CG 25C5 184CD2 16.99 184CE2 25C5 184CD2 16.85 184CG 25C6 184CD1 17.30 184CG 25C6 184CD2 18.02 184CG 25C6 184CB 18.64 184CG 25C6 184NE1 27.34 184CG 25C6 184CE2 27.75 184CD1 25C6 184CD2 28.13 184CD1 25C6 184CB 32.10 184CD1 25C6 184NE1 16.25 184CD1 25C6 184CE2 26.86 184CD2 25C6 184CB 32.59 184CD2 25C6 184NE1 27.14 184CD2 25C6 184CE2 16.75 184CB 25C6 184NE1 45.42 184CB 25C6 184CE2 45.85 184NE1 25C6 184CE2 16.05 20O 25C7 20C 5.96 20O 25C7 21CA 34.09 20O 25C7 19CD 73.49 20O 25C7 19CG 60.92 20O 25C7 21OE1 66.16 20O 25C7 21N 17.58 20O 25C7 19OE1 87.57 20O 25C7 19NE2 69.26 20C 25C7 21CA 31.76 20C 25C7 19CD 79.31 20C 25C7 19CG 66.28 20C 25C7 21OE1 60.89 20C 25C7 21N 14.18 20C 25C7 19OE1 93.30 20C 25C7 19NE2 75.21 184NE1 25C7 19CD 47.01 184NE1 25C7 19CG 52.85 184NE1 25C7 184CD1 16.44 184NE1 25C7 19OE1 33.68 184NE1 25C7 19NE2 59.90 21CA 25C7 19CD 96.04 21CA 25C7 19CG 89.60 21CA 25C7 21OE1 41.39 21CA 25C7 21N 17.76 21CA 25C7 19NE2 85.25 19CD 25C7 19CG 18.31 19CD 25C7 21N 88.09 19CD 25C7 184CD1 47.08 19CD 25C7 19OE1 14.53 19CD 25C7 19NE2 15.43 19CG 25C7 21N 77.54 19CG 25C7 184CD1 46.14 19CG 25C7 19OE1 28.58 19CG 25C7 19NE2 28.52 21OE1 25C7 21N 49.85 21N 25C7 19NE2 80.92 184CD1 25C7 19OE1 37.45 184CD1 25C7 19NE2 62.12 19OE1 25C7 19NE2 26.24 20O 25O8 19CD 90.86 20O 25O8 19NE2 87.53 20O 25O8 19CG 72.09 20O 25O8 20C 2.00 20O 25O8 22O 62.72 20O 25O8 19CB 63.81 19CD 25O8 19OE1 19.87 19CD 25O8 19NE2 21.15 19CD 25O8 19CG 23.15 19CD 25O8 184NE1 60.87 19CD 25O8 184CD1 58.07 19CD 25O8 20C 89.41 19CD 25O8 22O 57.75 19CD 25O8 184CE2 73.67 19CD 25O8 19CB 27.32 19OE1 25O8 19NE2 35.82 19OE1 25O8 19CG 37.30 19OE1 25O8 184NE1 43.39 19OE1 25O8 184CD1 45.88 19OE1 25O8 22O 74.89 19OE1 25O8 184CE2 55.38 19OE1 25O8 19CB 45.39 19NE2 25O8 19CG 37.34 19NE2 25O8 184NE1 79.21 19NE2 25O8 184CD1 78.91 19NE2 25O8 20C 85.68 19NE2 25O8 22O 39.13 19NE2 25O8 184CE2 91.05 19NE2 25O8 19CB 33.61 19CG 25O8 184NE1 65.75 19CG 25O8 184CD1 54.97 19CG 25O8 20C 71.02 19CG 25O8 22O 61.28 19CG 25O8 184CE2 78.82 19CG 25O8 19CB 12.33 184NE1 25O8 184CD1 18.60 184NE1 25O8 184CE2 13.25 184NE1 25O8 19CB 77.87 184CD1 25O8 184CE2 27.58 184CD1 25O8 19CB 67.24 20C 25O8 22O 60.75 20C 25O8 19CB 62.46 22O 25O8 19CB 49.98 184CE2 25O8 19CB 91.01 19OE1 25C9 19NE2 33.38 19OE1 25C9 19CD 18.07 19OE1 25C9 184NE1 40.26 19OE1 25C9 20O 84.29 19OE1 25C9 19CG 30.18 19OE1 25C9 22O 69.67 19OE1 25C9 184CE2 53.38 19OE1 25C9 184CD1 39.42 19NE2 25C9 19CD 19.36 19NE2 25C9 184NE1 73.02 19NE2 25C9 20O 69.77 19NE2 25C9 19CG 30.40 19NE2 25C9 22O 36.73 19NE2 25C9 184CE2 86.66 19NE2 25C9 184CD1 68.70 19CD 25C9 184NE1 54.70 19CD 25C9 20O 69.22 19CD 25C9 19CG 17.06 19CD 25C9 22O 53.02 19CD 25C9 184CE2 68.86 19CD 25C9 184CD1 49.36 184NE1 25C9 20O 95.14 184NE1 25C9 19CG 55.54 184NE1 25C9 184CE2 14.51 184NE1 25C9 184CD1 14.36 20O 25C9 19CG 54.13 20O 25C9 22O 54.06 20O 25C9 184CD1 80.80 19CG 25C9 22O 53.71 19CG 25C9 184CE2 69.95 19CG 25C9 184CD1 45.63 22O 25C9 184CD1 99.26 184CE2 25C9 184CD1 26.16 19NE2 25O10 20O 62.12 19NE2 25O10 22O 35.56 19NE2 25O10 19CD 15.61 19NE2 25O10 19OE1 26.78 20O 25O10 22O 52.61 20O 25O10 19CD 59.60 20O 25O10 19OE1 70.63 22O 25O10 19CD 48.47 22O 25O10 19OE1 61.86 19CD 25O10 19OE1 14.34 162ND1 25C11 184CZ2 66.42 162ND1 2SC11 184NE1 66.34 162ND1 25C11 162CE1 17.78 162ND1 25C11 19OE1 57.83 162ND1 25C11 184CE2 67.52 162ND1 25C11 162CG 14.11 162ND1 25C11 19NE2 72.38 162ND1 25C11 19CD 68.15 184CZ2 25C11 184NE1 34.50 184CZ2 25C11 162CE1 56.59 184CZ2 25C11 19OE1 69.19 184CZ2 2SC11 184CE2 17.54 184CZ2 25C11 162CG 60.04 184CZ2 25C11 19NE2 95.66 184CZ2 25C11 19CD 80.47 184NE1 2SC11 162CE1 49.27 184NE1 25C11 19OE1 37.54 184NE1 25C11 184CE2 17.27 184NE1 25C11 162CG 68.99 184NE1 25C11 19NE2 62.26 184NE1 25C11 19CD 46.90 162CE1 25C11 19OE1 42.46 162CE1 25C11 184CE2 53.20 162CE1 25C11 162CG 26.53 162CE1 25C11 19NE2 62.11 162CE1 25C11 19CD 54.33 19OE1 25C11 184CE2 53.84 19OE1 25C11 162CG 68.94 19OE1 25C11 19NE2 26.94 19OE1 25C11 19CD 13.30 184CE2 25C11 162CG 65.59 184CE2 25C11 19NE2 79.38 184CE2 25C11 19CD 64.03 162CG 2SC11 19NE2 86.02 162CG 25C11 19CD 80.39 19NE2 25C11 19CD 15.36 184CZ2 25C15 184CH2 16.48 184CZ2 25C15 143OE1 72.66 184CZ2 25C15 137O 75.04 184CH2 25C15 143OE1 58.91 184CH2 25C15 137O 61.89 143OE1 25C15 137O 63.98 162ND1 25C16 162CE1 19.73 162ND1 25C16 162CG 16.60 162ND1 25C16 25SG 47.39 162ND1 25C16 161O 72.64 162ND1 25C16 19OE1 62.63 162ND1 25C16 162CB 33.51 162ND1 25C16 162CA 39.24 162ND1 25C16 162NE2 20.67 162ND1 25C16 19NE2 81.12 162ND1 25C16 184CZ2 64.44 162ND1 25C16 25CB 44.50 162ND1 25C16 184NE1 64.44 162ND1 25C16 162CD2 17.81 162CE1 25C16 162CG 32.31 162CE1 25C16 25SG 53.22 162CE1 25C16 161O 91.93 162CE1 25C16 19OE1 44.18 162CE1 25C16 162CB 51.51 162CE1 25C16 162CA 58.97 162CE1 25C16 162NE2 11.09 162CE1 25C16 19NE2 66.33 162CE1 25C16 184CZ2 53.67 162CE1 25C16 25CB 41.27 162CE1 25C16 184NE1 46.11 162CE1 25C16 162CD2 24.34 162CG 25C16 25SG 59.98 162CG 25C16 161O 66.72 162CG 25C16 19OE1 76.48 162CG 25C16 162CB 19.50 162CG 25C16 162CA 32.20 162CG 25C16 162NE2 27.13 162CG 25C16 19NE2 97.24 162CG 25C16 184CZ2 60.98 162CG 25C16 25CB 60.57 162CG 25C16 184NE1 70.16 162CG 25C16 162CD2 12.90 25SG 25C16 161O 62.69 25SG 25C16 19OE1 65.19 25SG 25C16 162CB 65.02 25SG 25C16 162CA 52.80 25SG 25C16 162NE2 62.49 25SG 25C16 19NE2 61.43 25SG 25C16 25CB 20.75 25SG 25C16 184NE1 91.34 25SG 25C16 162CD2 65.19 161O 25C16 162CB 50.15 161O 25C16 162CA 34.64 161O 25C16 162NE2 92.16 161O 25C16 25CB 82.66 161O 25C16 162CD2 79.61 19OE1 25C16 162CB 95.63 19OE1 25C16 162CA 99.99 19OE1 25C16 162NE2 51.09 19OE1 25C16 19NE2 27.38 19OE1 25C16 184CZ2 62.46 19OE1 25C16 25CB 44.47 19OE1 25C16 184NE1 33.86 19OE1 25C16 162CD2 67.06 162CB 25C16 162CA 18.75 162CB 25C16 162NE2 46.53 162CB 25C16 184CZ2 73.28 162CB 25C16 25CB 72.45 162CB 25C16 184NE1 88.17 162CB 25C16 162CD2 31.28 162CA 25C16 162NE2 57.73 162CA 25C16 184CZ2 91.31 162CA 25C16 25CB 65.83 162CA 25C16 162CD2 45.08 162NE2 25C16 19NE2 75.48 162NE2 25C16 184CZ2 45.32 162NE2 25C16 25CB 52.16 162NE2 25C16 184NE1 44.44 162NE2 25C16 162CD2 16.02 19NE2 25C16 184CZ2 88.09 19NE2 25C16 25CB 44.94 19NE2 25C16 184NE1 58.55 19NE2 25C16 162CD2 90.64 184CZ2 25C16 25CB 91.81 184CZ2 25C16 184NE1 29.55 184CZ2 25C16 162CD2 49.38 25CB 25C16 184NE1 71.82 25CB 25C16 162CD2 60.66 184NE1 25C16 162CD2 57.37 162ND1 25O17 162CG 25.38 162ND1 25O17 162CB 48.94 162ND1 25O17 162CE1 18.45 162ND1 25O17 161O 93.58 162ND1 25O17 162CA 54.76 162ND1 25O17 25SG 48.39 162ND1 25O17 161C 89.31 162ND1 25O17 162CD2 25.71 162ND1 25O17 162N 73.99 162ND1 25O17 162NE2 21.11 162ND1 25O17 184CZ2 69.27 162ND1 25O17 137CB 75.37 162CG 25O17 162CB 26.64 162CG 25O17 162CE1 38.41 162CG 25O17 161O 86.53 162CG 25O17 162CA 42.50 162CG 25O17 25SG 67.49 162CG 25O17 161C 76.51 162CG 25O17 162CD2 13.63 162CG 25O17 162N 58.79 162CG 25O17 162NE2 29.02 162CG 25O17 161OD1 79.16 162CG 25O17 184CZ2 67.73 162CG 25O17 137CB 51.32 162CB 25O17 162CE1 64.60 162CB 25O17 161O 65.36 162CB 25O17 162CA 24.38 162CB 25O17 25SG 76.49 162CB 25O17 161C 52.48 162CB 25O17 162CD2 38.18 162CB 25O17 162N 34.58 162CB 25O17 162NE2 55.49 162CB 25O17 161OD1 54.52 162CB 25O17 184CZ2 85.85 162CB 25O17 137CB 42.56 162CE1 25O17 162CA 73.15 162CE1 25O17 25SG 55.22 162CE1 25O17 162CD2 31.50 162CE1 25O17 162N 92.28 162CE1 25O17 162NE2 14.96 162CE1 25O17 184CZ2 56.06 162CE1 25O17 137CB 81.03 161O 25O17 162CA 44.07 161O 25O17 25SG 69.63 161O 25O17 161C 15.96 161O 25O17 162N 31.46 161O 25O17 161OD1 56.32 161O 25O17 137CB 91.92 162CA 25O17 25SG 61.24 162CA 25O17 161C 35.13 162CA 25O17 162CD2 56.09 162CA 25O17 162N 19.37 162CA 25O17 162NE2 69.58 162CA 25O17 161OD1 58.28 162CA 25O17 137CB 64.45 25SG 25O17 161C 77.58 25SG 25O17 162CD2 73.41 25SG 25O17 162N 74.60 25SG 25O17 162NE2 67.15 161C 25O17 162CD2 89.68 161C 25O17 162N 17.96 161C 25O17 161OD1 42.82 161C 25O17 137CB 75.96 162CD2 25O17 162N 71.80 162CD2 25O17 162NE2 18.45 162CD2 25O17 161OD1 86.33 162CD2 25O17 184CZ2 54.40 162CD2 25O17 137CB 50.73 162N 25O17 162NE2 87.31 162N 25O17 161OD1 42.68 162N 25O17 137CB 63.55 162NE2 25O17 184CZ2 48.21 162NE2 25O17 137CB 66.23 161OD1 25O17 137CB 44.42 184CZ2 25O17 137CB 61.47 25SG 25N18 162ND1 50.41 25SG 25N18 162CE1 53.56 25SG 25N18 161O 67.92 25SG 25N18 19NE2 71.90 25SG 25N18 19OE1 69.62 25SG 25N18 25CB 22.82 25SG 25N18 23CA 87.13 25SG 25N18 162CG 56.99 25SG 25N18 19CD 72.29 162ND1 25N18 162CE1 17.36 162ND1 25N18 161O 69.09 162ND1 25N18 19NE2 84.51 162ND1 25N18 19OE1 59.48 162ND1 25N18 25CB 49.58 162ND1 25N18 162CG 11.34 162ND1 25N18 19CD 72.69 162CE1 25N18 161O 86.28 162CE1 25N18 19NE2 68.55 162CE1 25N18 19OE1 42.23 162CE1 25N18 25CB 43.96 162CE1 25N18 162CG 27.38 162CE1 25N18 19CD 55.80 161O 25N18 25CB 89.34 161O 25N18 162CG 61.14 19NE2 25N18 19OE1 29.63 19NE2 25N18 25CB 50.72 19NE2 25N18 23CA 55.49 19NE2 25N18 162CG 95.57 19NE2 25N18 19CD 15.35 19OE1 25N18 25CB 47.37 19OE1 25N18 23CA 85.11 19OE1 25N18 162CG 69.47 19OE1 25N18 19CD 14.61 25CB 25N18 23CA 81.33 25CB 25N18 162CG 59.74 25CB 25N18 19CD 49.52 23CA 25N18 19CD 70.70 162CG 25N18 19CD 83.18 25SG 25C19 161O 92.47 25SG 25C19 162ND1 54.14 25SG 25C19 25CB 20.86 25SG 25C19 162CA 62.74 25SG 25C19 161C 88.58 25SG 25C19 162CE1 51.71 25SG 25C19 23CA 97.99 25SG 25C19 25N 41.07 25SG 25C19 23C 82.10 25SG 25C19 23O 81.30 25SG 25C19 162CG 59.31 25SG 25C19 19NE2 69.11 25SG 25C19 162CB 67.82 25SG 25C19 162N 76.57 161O 25C19 162ND1 78.79 161O 25C19 162CA 38.01 161O 25C19 161C 7.13 161O 25C19 162CE1 93.42 161O 25C19 162CG 66.49 161O 25C19 162CB 49.06 161O 25C19 162N 21.75 162ND1 25C19 25CB 52.62 162ND1 25C19 162CA 42.73 162ND1 25C19 161C 71.68 162ND1 25C19 162CE1 14.66 162ND1 25C19 25N 83.32 162ND1 25C19 162CG 12.47 162ND1 25C19 19NE2 75.83 162ND1 25C19 162CB 30.03 162ND1 25C19 162N 57.42 25CB 25C19 162CA 76.45 25CB 25C19 162CE1 44.02 25CB 25C19 23CA 85.20 25CB 25C19 25N 31.12 25CB 25C19 23C 72.96 25CB 25C19 23O 77.28 25CB 25C19 162CG 62.09 25CB 25C19 19NE2 48.58 25CB 25C19 162CB 75.75 25CB 25C19 162N 92.17 162CA 25C19 161C 31.40 162CA 25C19 162CE1 56.83 162CA 25C19 162CG 31.62 162CA 25C19 162CB 17.87 162CA 25C19 162N 16.50 161C 25C19 162CE1 86.32 161C 25C19 162CG 59.37 161C 25C19 162CB 41.93 161C 25C19 162N 14.94 162CE1 25C19 25N 72.85 162CE1 25C19 162CG 27.09 162CE1 25C19 19NE2 61.17 162CE1 25C19 162CB 44.66 162CE1 25C19 162N 71.95 23CA 25C19 25N 56.99 23CA 25C19 23C 18.49 23CA 25C19 23O 29.45 23CA 25C19 19NE2 51.58 25N 25C19 23C 42.38 25N 25C19 23O 46.35 25N 25C19 162CG 93.20 25N 25C19 19NE2 42.58 23C 25C19 23O 14.74 23C 25C19 19NE2 52.68 23O 25C19 19NE2 66.29 162CG 25C19 19NE2 88.25 162CG 25C19 162CB 17.57 162CG 25C19 162N 45.36 162CB 25C19 162N 28.45 184NE1 25N20 19OE1 48.31 184NE1 25N20 19CD 61.42 184NE1 25N20 184CE2 19.07 184NE1 25N20 19NE2 80.38 184NE1 25N20 184CZ2 38.30 184NE1 25N20 162CE1 53.42 184NE1 25N20 184CD1 12.98 184NE1 25N20 162ND1 68.69 184NE1 25N20 19CG 57.21 19OE1 25N20 19CD 18.12 19OE1 25N20 184CE2 65.80 19OE1 25N20 19NE2 33.85 19OE1 25N20 184CZ2 80.73 19OE1 25N20 162CE1 45.71 19OE1 25N20 184CD1 44.65 19OE1 25N20 162ND1 59.71 19OE1 25N20 19CG 26.58 19CD 25N20 184CE2 80.19 19CD 25N20 19NE2 19.18 19CD 25N20 184CZ2 97.13 19CD 25N20 162CE1 62.24 19CD 25N20 184CD1 54.10 19CD 25N20 162ND1 74.29 19CD 25N20 19CG 14.62 184CE2 25N20 19NE2 98.89 184CE2 25N20 184CZ2 20.04 184CE2 25N20 162CE1 56.95 184CE2 25N20 184CD1 30.00 184CE2 25N20 162ND1 68.56 184CE2 25N20 19CG 76.21 19NE2 25N20 162CE1 69.93 19NE2 25N20 184CD1 73.25 19NE2 25N20 162ND1 77.40 19NE2 25N20 19CG 29.26 184CZ2 25N20 162CE1 57.21 184CZ2 25N20 184CD1 49.98 184CZ2 25N20 162ND1 63.26 184CZ2 25N20 19CG 95.28 162CE1 25N20 184CD1 61.93 162CE1 25N20 162ND1 16.79 162CE1 25N20 19CG 72.21 184CD1 25N20 162ND1 78.20 184CD1 25N20 19CG 47.15 162ND1 25N20 19CG 86.13 25SG 25C21 25CB 34.64 25SG 25C21 25N 72.39 25SG 25C21 25CA 49.66 25SG 25C21 162ND1 48.43 25SG 25C21 19NE2 93.26 25SG 25C21 26N 53.17 25SG 25C21 161O 82.24 25SG 25C21 25C 43.41 25SG 25C21 24C 80.54 25SG 25C21 162CE1 48.10 25SG 25C21 19OE1 73.78 25SG 25C21 24CA 98.55 25SG 25C21 163N 27.76 25SG 25C21 162CA 50.66 25SG 25C21 19CD 82.46 25SG 25C21 26CD1 90.92 25CB 25C21 25N 45.83 25CB 25C21 25CA 23.90 25CB 25C21 162ND1 58.24 25CB 25C21 19NE2 60.12 25CB 25C21 26N 51.36 25CB 25C21 24N 83.08 25CB 25C21 25C 33.89 25CB 25C21 24C 55.62 25CB 25C21 162CE1 46.38 25CB 25C21 19OE1 47.87 25CB 25C21 24CA 73.29 25CB 25C21 163N 62.27 25CB 25C21 162CA 80.47 25CB 25C21 19CD 51.61 25CB 25C21 26CD1 90.22 25N 25C21 25CA 23.31 25N 25C21 23O 62.57 25N 25C21 23C 56.71 25N 25C21 23CA 72.88 25N 25C21 19NE2 53.88 25N 25C21 26N 39.27 25N 25C21 24N 40.31 25N 25C21 25C 33.06 25N 25C21 24C 9.89 25N 25C21 162CE1 88.84 25N 25C21 19OE1 66.88 25N 25C21 24CA 27.62 25N 25C21 163N 97.26 25N 25C21 19CD 57.91 25N 25C21 26CD1 57.03 25CA 25C21 23O 85.08 25CA 25C21 23C 79.97 25CA 25C21 162ND1 82.14 25CA 25C21 23CA 94.92 25CA 25C21 19NE2 59.55 25CA 25C21 26N 34.96 25CA 25C21 24N 63.21 25CA 25C21 25C 19.25 25CA 25C21 24C 32.60 25CA 25C21 162CE1 69.83 25CA 25C21 19OE1 60.15 25CA 25C21 24CA 50.80 25CA 25C21 163N 75.98 25CA 25C21 19CD 57.10 25CA 25C21 26CD1 68.81 23O 25C21 23C 18.23 23O 25C21 23CA 34.62 23O 25C21 19NE2 81.51 23O 25C21 26N 74.70 23O 25C21 24N 31.37 23O 25C21 25C 84.83 23O 25C21 24C 52.77 23O 25C21 24CA 35.38 23O 25C21 19CD 94.62 23O 25C21 26CD1 42.49 23C 25C21 23CA 21.54 23C 25C21 19NE2 63.77 23C 25C21 26N 80.57 23C 25C21 24N 17.67 23C 25C21 25C 85.73 23C 25C21 24C 48.08 23C 25C21 19OE1 91.44 23C 25C21 24CA 30.02 23C 25C21 19CD 77.14 23C 25C21 26CD1 56.82 162ND1 25C21 19NE2 82.13 162ND1 25C21 161O 66.39 162ND1 25C21 25C 86.84 162ND1 25C21 162CE1 16.39 162ND1 25C21 19OE1 54.45 162ND1 25C21 163N 49.87 162ND1 25C21 162CA 38.64 162ND1 25C21 19CD 68.76 23CA 25C21 19NE2 59.28 23CA 25C21 24N 33.06 23CA 25C21 24C 65.84 23CA 25C21 19OE1 85.51 23CA 25C21 24CA 49.18 23CA 25C21 19CD 72.54 23CA 25C21 26CD1 76.75 19NE2 25C21 26N 91.47 19NE2 25C21 24N 51.72 19NE2 25C21 25C 78.62 19NE2 25C21 24C 57.38 19NE2 25C21 162CE1 66.80 19NE2 25C21 19OE1 27.71 19NE2 25C21 24CA 59.21 19NE2 25C21 19CD 13.58 26N 25C21 24N 70.38 26N 25C21 25C 17.60 26N 25C21 24C 40.64 26N 25C21 162CE1 94.63 26N 25C21 19OE1 94.99 26N 25C21 24CA 53.42 26N 25C21 163N 67.59 26N 25C21 162CA 96.43 26N 25C21 19CD 91.55 26N 25C21 26CD1 40.50 24N 25C21 25C 71.62 24N 25C21 24C 32.79 24N 25C21 19OE1 78.31 24N 25C21 24CA 16.97 24N 25C21 19CD 64.11 24N 25C21 26CD1 58.21 161O 25C21 162CE1 82.76 161O 25C21 163N 55.62 161O 25C21 162CA 33.90 25C 25C21 24C 38.87 25C 25C21 162CE1 78.56 25C 25C21 19OE1 78.01 25C 25C21 24CA 55.90 25C 25C21 163N 64.97 25C 25C21 162CA 92.64 25C 25C21 19CD 76.23 25C 25C21 26CD1 56.82 24C 25C21 162CE1 98.56 24C 25C21 19OE1 74.12 24C 25C21 24CA 18.29 24C 25C21 19CD 63.65 24C 25C21 26CD1 49.92 162CE1 25C21 19OE1 39.16 162CE1 25C21 163N 58.96 162CE1 25C21 162CA 54.05 162CE1 25C21 19CD 53.25 19OE1 25C21 24CA 82.23 19OE1 25C21 163N 94.60 19OE1 25C21 162CA 93.01 19OE1 25C21 19CD 14.34 24CA 25C21 19CD 69.26 24CA 25C21 26CD1 46.30 163N 25C21 162CA 28.85 163N 25C21 26CD1 94.44 25SG 25O22 25N 77.15 25SG 25O22 25CB 38.56 25SG 25O22 25CA 56.15 25SG 25O22 24C 89.30 25SG 25O22 19OE1 86.57 25SG 25O22 162ND1 43.24 25SG 25O22 25C 48.29 25SG 25O22 26N 51.24 25SG 25O22 162CE1 50.40 25SG 25O22 24O 83.26 25N 25O22 25CB 51.87 25N 25O22 19NE2 73.58 25N 25O22 23C 71.81 25N 25O22 23CA 95.33 25N 25O22 25CA 24.89 25N 25O22 24N 52.99 25N 25O22 23O 73.36 25N 25O22 24C 13.57 25N 25O22 19CD 75.82 25N 25O22 19OE1 83.34 25N 25O22 24CA 35.40 25N 25O22 22O 81.27 25N 25O22 25C 29.02 25N 25O22 26N 34.61 25N 25O22 23N 91.35 25N 25O22 162CE1 94.53 25N 25O22 22C 85.32 25N 25O22 24O 6.50 25CB 25O22 19NE2 77.77 25CB 25O22 25CA 27.03 25CB 25O22 24C 65.38 25CB 25O22 19CD 66.62 25CB 25O22 19OE1 58.82 25CB 25O22 24CA 87.22 25CB 25O22 162ND1 52.46 25CB 25O22 25C 32.94 25CB 25O22 26N 48.44 25CB 25O22 162CE1 44.82 25CB 25O22 24O 58.22 19NE2 25O22 23C 87.29 19NE2 25O22 23CA 80.68 19NE2 25O22 25CA 75.11 19NE2 25O22 24N 70.11 19NE2 25O22 24C 73.32 19NE2 25O22 19CD 15.53 19NE2 25O22 19OE1 32.76 19NE2 25O22 24CA 76.24 19NE2 25O22 22O 41.66 19NE2 25O22 162ND1 90.29 19NE2 25O22 25C 91.32 19NE2 25O22 23N 70.60 19NE2 25O22 162CE1 74.46 19NE2 25O22 22C 55.07 19NE2 25O22 24O 72.58 23C 25O22 23CA 27.25 23C 25O22 25CA 96.67 23C 25O22 24N 23.18 23C 25O22 23O 20.52 23C 25O22 24C 58.32 23C 25O22 24CA 36.50 23C 25O22 22O 49.90 23C 25O22 25C 95.16 23C 25O22 26N 86.14 23C 25O22 23N 30.10 23C 25O22 22C 39.20 23C 25O22 24O 65.47 23CA 25O22 24N 42.37 23CA 25O22 23O 41.32 23CA 25O22 24C 81.90 23CA 25O22 19CD 95.72 23CA 25O22 24CA 60.58 23CA 25O22 22O 39.10 23CA 25O22 23N 10.12 23CA 25O22 22C 25.72 23CA 25O22 24O 88.84 25CA 25O22 24N 77.38 25CA 25O22 23O 96.24 25CA 25O22 24C 38.44 25CA 25O22 19CD 70.44 25CA 25O22 19OE1 70.91 25CA 25O22 24CA 60.28 25CA 25O22 22O 98.08 25CA 25O22 162ND1 79.49 25CA 25O22 25C 16.40 25CA 25O22 26N 32.82 25CA 25O22 162CE1 70.84 25CA 25O22 24O 31.31 24N 25O22 23O 38.32 24N 25O22 24C 39.66 24N 25O22 19CD 83.95 24N 25O22 24CA 19.43 24N 25O22 22O 42.54 24N 25O22 25C 80.28 24N 25O22 26N 76.76 24N 25O22 23N 39.05 24N 25O22 22C 38.22 24N 25O22 24O 46.50 23O 25O22 24C 61.42 23O 25O22 24CA 42.50 23O 25O22 22O 70.35 23O 25O22 25C 89.16 23O 25O22 26N 75.88 23O 25O22 23N 47.63 23O 25O22 22C 59.10 23O 25O22 24O 68.00 24C 25O22 19CD 79.18 24C 25O22 19OE1 89.99 24C 25O22 24CA 21.85 24C 25O22 22O 71.83 24C 25O22 25C 41.07 24C 25O22 26N 42.17 24C 25O22 23N 78.42 24C 25O22 22C 73.88 24C 25O22 24O 7.15 19CD 25O22 19OE1 17.46 19CD 25O22 24CA 86.98 19CD 25O22 22O 56.95 19CD 25O22 162ND1 74.94 19CD 25O22 25C 86.74 19CD 25O22 23N 85.73 19CD 25O22 162CE1 58.96 19CD 25O22 22C 70.31 19CD 25O22 24O 76.60 19OE1 25O22 22O 73.26 19OE1 25O22 162ND1 57.54 19OE1 25O22 25C 85.88 19OE1 25O22 162CE1 41.81 19OEl 25O22 22C 86.38 19OE1 25O22 24O 85.82 24CA 25O22 22O 59.15 24CA 25O22 25C 61.20 24CA 25O22 26N 57.49 24CA 25O22 23N 58.31 24CA 25O22 22C 57.09 24CA 25O22 24O 29.00 22O 25O22 23N 28.99 22O 25O22 22C 13.41 22O 25O22 24O 76.18 162ND1 25O22 25C 81.58 162ND1 25O22 26N 91.32 162ND1 25O22 162CE1 16.64 25C 25O22 26N 17.25 25C 25O22 162CE1 77.24 25C 25O22 24O 34.98 26N 25O22 162CE1 90.62 26N 25O22 24O 38.49 23N 25O22 22C 15.60 23N 25O22 24O 84.97 22C 25C22 24O 79.45 160O 25C23 160CB 36.76 67OH 25C23 67CE1 30.78 160O 25C24 160CB 45.57 160O 25C24 160C 10.69 160O 25C24 160CA 28.84 160O 25C24 160N 35.35 160CB 25C24 160C 34.90 160CB 25C24 209CD2 74.30 160CB 25C24 160CA 18.76 160CB 25C24 160N 30.63 160C 25C24 209CD2 96.30 160C 25C24 160CA 18.91 160C 25C24 160N 29.27 67CE1 25C24 209CD2 57.14 67CE1 25C24 67OH 30.07 209CD2 25C24 160CA 90.67 209CD2 25C24 67OH 85.98 160CA 25C24 160N 17.56 160O 25C25 160C 5.82 160O 25C25 160CB 36.39 160C 25C25 160CB 31.49 67CE1 25C25 67OH 30.77 67CE1 25C25 67CZ 16.04 67OH 25C25 67CZ 16.48 67OH 25C26 67CE1 31.37 67OH 25C26 67CZ 16.61 67CE1 25C26 67CZ 17.15 67OH 25C27 67CZ 14.42 67OH 25C27 67CE1 29.64 67CZ 25C27 67CE1 16.82 67CE1 25C27 160O 94.55 67OH 25C28 67CE1 29.88 67OH 25C28 67CZ 13.63 67CE1 25C28 67CZ 16.55 275OH2 25O30 161CA 92.49 160O 25O30 161CA 34.81 160O 25C31 161CA 41.59 160O 25C31 161O 73.41 160O 25C31 161C 57.25 160O 25C31 160C 11.02 160O 25C31 161N 26.54 160O 25C31 161CB 50.31 161CA 25C31 161O 34.32 161CA 25C31 161C 20.25 161CA 25C31 160C 31.39 161CA 25C31 161N 15.77 161CA 25C31 161CB 16.64 161O 25C31 275OH2 83.79 161O 25C31 161C 16.21 161O 25C31 160C 62.41 161O 25C31 161N 47.12 161O 25C31 161CB 38.54 275OH2 25C31 161C 97.89 275OH2 25C31 161CB 91.47 161C 25C31 160C 46.24 161C 25C31 161N 31.16 161C 25C31 161CB 30.39 160C 25C31 161N 15.86 160C 25C31 161CB 42.23 161N 25C31 161CB 29.11 160O 25O32 161CA 58.97 160O 25O32 161C 79.84 160O 25O32 160C 17.38 160O 25O32 161N 38.10 160O 25O32 161CB 67.22 160O 25O32 162N 74.42 160O 25O32 160CA 13.85 161CA 25O32 161O 45.01 161CA 25O32 161C 27.02 161CA 25O32 160C 43.17 161CA 25O32 161N 22.39 161CA 25O32 161CB 19.73 161CA 25O32 162N 31.22 161CA 25O32 160CA 49.48 161O 25O32 161C 21.40 161O 25O32 160C 83.84 161O 25O32 161N 63.21 161O 25O32 161CB 49.30 161O 25O32 162N 29.81 161O 25O32 160CA 88.75 161O 25O32 275OH2 81.22 161C 25O32 160C 62.49 161C 25O32 161N 42.18 161C 25O32 161CB 39.00 161C 25O32 162N 12.22 161C 25O32 160CA 67.34 160C 25O32 161N 21.25 160C 25O32 161CB 55.00 160C 25O32 162N 57.22 160C 25O32 160CA 6.68 161N 25O32 161CB 37.70 161N 25O32 162N 39.25 161N 25O32 160CA 27.25 161CB 25O32 162N 47.45 161CB 25O32 160CA 61.67 161CB 25O32 275OH2 93.88 162N 25O32 160CA 61.00 161O 25C33 161C 15.17 161O 25C33 275OH2 81.48 161O 25C33 161CA 29.19 66O 25C33 66N 37.60 66O 25C33 65CA 66.72 161C 25C33 275OH2 91.71 161C 25C33 161CA 18.22 66N 25C33 275OH2 84.36 66N 25C33 65CA 29.78 275OH2 25C33 161CA 86.95 275OH2 25C33 65CA 56.91 66O 25C34 66C 9.95 66O 25C34 66N 42.43 66O 25C34 26CB 47.74 66O 25C34 66CA 25.52 66O 25C34 67N 13.89 66O 25C34 26CG 42.21 66O 25C34 163CB 91.47 66C 25C34 66N 36.15 66C 25C34 26CB 56.11 66C 25C34 66CA 18.24 66C 25C34 67N 11.90 66C 25C34 26CG 48.09 66N 25C34 26CB 65.07 66N 25C34 66CA 17.98 66N 25C34 67N 47.31 66N 25C34 26CG 48.82 26CB 25C34 66CA 60.10 26CB 25C34 67N 60.76 26CB 25C34 26CG 17.03 26CB 25C34 163CB 52.12 66CA 25C34 67N 29.36 66CA 25C34 26CG 46.86 161O 25C34 163CB 78.29 67N 25C34 26CG 56.10 67N 25C34 163CB 99.58 26CG 25C34 163CB 68.12 66O 25C35 163CB 89.09 66O 25C35 66C 7.53 66O 25C35 67CD1 63.13 66O 25C35 68SD 68.36 66O 25C35 26CB 39.72 209CD2 25C35 134CB 51.38 209CD2 25C35 67CD1 51.16 209CD2 25C35 68SD 69.83 209CD2 25C35 160O 84.17 134CB 25C35 163CB 64.65 134CB 25C35 163N 61.10 134CB 25C35 68SD 66.71 134CB 25C35 160O 74.73 134CB 25C35 161O 92.07 163CB 25C35 66C 96.13 163CB 25C35 163N 30.24 163CB 25C35 68SD 45.97 163CB 25C35 26CB 50.88 163CB 25C35 161O 80.11 66C 25C35 67CD1 56.50 66C 25C35 68SD 71.94 66C 25C35 26CB 47.21 67CD1 25C35 68SD 80.40 67CD1 25C35 26CB 97.36 163N 25C35 68SD 74.50 163N 25C35 160O 89.86 163N 25C35 26CB 73.24 163N 25C35 161O 52.41 68SD 25C35 26CB 52.35 160O 25C35 161O 56.45 26CB 25C35 161O 98.49 161C 25C36 161O 18.57 161C 25C36 162N 20.01 161C 25C36 160O 62.57 161C 25C36 163N 67.45 161C 25C36 161CA 21.83 161C 25C36 162C 54.00 161C 25C36 160C 53.82 161C 25C36 161N 36.26 161C 25C36 162CA 34.07 161C 25C36 163CA 85.21 161C 25C36 163CB 99.05 161C 25C36 162O 59.74 161C 25C36 160CB 80.93 161C 25C36 134CA 96.31 161O 25C36 162N 33.64 161O 25C36 160O 74.48 161O 25C36 163N 66.90 161O 25C36 161CA 34.96 161O 25C36 162C 59.06 161O 25C36 160C 69.44 161O 25C36 161N 53.14 161O 25C36 162CA 38.64 161O 25C36 163CA 85.32 161O 25C36 163CB 94.16 161O 25C36 162O 69.06 161O 25C36 160CB 98.55 162N 25C36 134CB 89.78 162N 25C36 160O 71.09 162N 25C36 163N 52.42 162N 25C36 161CA 35.49 162N 25C36 162C 36.12 162N 25C36 160C 57.50 162N 25C36 161N 39.78 162N 25C36 162CA 19.47 162N 25C36 163CA 68.57 162N 25C36 163CB 85.10 162N 25C36 162O 39.89 162N 25C36 160CB 76.82 162N 25C36 134CA 77.09 134CB 25C36 160O 94.70 134CB 25C36 163N 73.72 134CB 25C36 162C 70.42 134CB 25C36 160C 84.32 134CB 25C36 161N 89.08 134CB 25C36 162CA 87.63 134CB 25C36 163CA 61.39 134CB 25C36 163CB 69.69 134CB 25C36 162O 57.00 134CB 25C36 209CD2 50.87 134CB 25C36 160CB 57.37 134CB 25C36 134CA 14.58 160O 25C36 161CA 40.90 160O 25C36 160C 17.14 160O 25C36 161N 31.70 160O 25C36 162CA 90.56 160O 25C36 162O 96.89 160O 25C36 209CD2 91.01 160O 25C36 160CB 37.47 160O 25C36 134CA 97.11 163N 25C36 161CA 87.43 163N 25C36 162C 18.84 163N 25C36 161N 90.13 163N 25C36 162CA 33.77 163N 25C36 163CA 18.45 163N 25C36 163CB 32.69 163N 25C36 162O 29.16 163N 25C36 134CA 60.25 161CA 25C36 162C 71.59 161CA 25C36 160C 34.60 161CA 25C36 161N 20.18 161CA 25C36 162CA 53.69 161CA 25C36 162O 73.10 161CA 25C36 160CB 64.88 161CA 25C36 134CA 99.89 162C 25C36 160C 86.67 162C 25C36 161N 71.72 162C 25C36 162CA 20.71 162C 25C36 163CA 32.55 162C 25C36 163CB 50.28 162C 25C36 162O 14.79 162C 25C36 160CB 91.85 162C 25C36 134CA 55.85 160C 25C36 161N 18.17 160C 25C36 162CA 76.54 160C 25C36 162O 79.80 160C 25C36 209CD2 94.97 160C 25C36 160CB 31.31 160C 25C36 134CA 83.64 161N 25C36 162CA 59.12 161N 25C36 162O 67.84 161N 25C36 160CB 45.47 161N 25C36 134CA 83.93 162CA 25C36 163CA 51.16 162CA 25C36 163CB 66.24 162CA 25C36 162O 30.96 162CA 25C36 160CB 91.92 162CA 25C36 134CA 73.28 163CA 25C36 163CB 19.41 163CA 25C36 162O 35.58 163CA 25C36 134CA 50.10 163CA 25C36 66O 93.58 163CB 25C36 162O 54.97 163CB 25C36 209CD2 96.16 163CB 25C36 134CA 62.02 163CB 25C36 66O 74.19 162O 25C36 160CB 79.17 162O 25C36 134CA 42.49 209CD2 25C36 160CB 65.91 209CD2 25C36 134CA 65.34 209CD2 25C36 66O 80.01 160CB 25C36 134CA 61.85 209CD2 25C37 67CD1 67.58 209CD2 25C37 67CE1 72.61 209CD2 25C37 67CG 78.13 209CD2 25C37 160O 97.02 209CD2 25C37 67CZ 85.11 209CD2 25C37 134CB 51.48 209CD2 25C37 67CA 84.67 209CD2 25C37 209CG 2.50 67CD1 25C37 67CE1 21.97 67CD1 25C37 66O 73.49 67CD1 25C37 67CG 14.24 67CD1 25C37 67CZ 29.56 67CD1 25C37 66C 63.11 67CD1 25C37 67CA 43.36 67CD1 25C37 209CG 66.09 67CE1 25C37 66O 88.74 67CE1 25C37 67CG 32.18 67CE1 25C37 67CZ 12.63 67CE1 25C37 66C 77.14 67CE1 25C37 67CA 63.67 67CE1 25C37 209CG 72.01 66O 25C37 67CG 59.39 66O 25C37 67CZ 84.53 66O 25C37 66C 11.85 66O 25C37 67CA 35.08 67CG 25C37 67CZ 34.96 67CG 25C37 66C 48.87 67CG 25C37 67CA 31.56 67CG 25C37 209CG 76.30 160O 25C37 134CB 73.49 160O 25C37 209CG 99.48 67CZ 25C37 66C 72.68 67CZ 25C37 67CA 65.61 67CZ 25C37 209CG 84.57 66C 25C37 67CA 29.50 134CB 25C37 209CG 52.27 67CA 25C37 209CG 82.22 65CA 25C38 66N 35.46 65CA 25C38 66O 74.46 65CA 25C38 26CD1 58.84 65CA 25C38 275OH2 67.35 65CA 25C38 65C 19.07 65CA 25C38 23O 55.20 65CA 25C38 26CB 86.32 65CA 25C38 26CG 69.11 65CA 25C38 64O 33.75 65CA 25C38 65N 11.94 161O 25C38 25SG 65.22 161O 25C38 275OH2 84.21 161O 25C38 161C 10.24 66N 25C38 66O 39.10 66N 25C38 26CD1 49.39 66N 25C38 275OH2 95.80 66N 25C38 65C 16.72 66N 25C38 23O 75.10 66N 25C38 26CB 62.01 66N 25C38 26CG 49.74 66N 25C38 64O 67.28 66N 25C38 65N 46.94 66O 25C38 26CD1 55.62 66O 25C38 65C 55.45 66O 25C38 23O 98.46 66O 25C38 26CB 41.40 66O 25C38 26CG 43.32 66O 25C38 65N 85.60 26CD1 25C38 25SG 77.15 26CD1 25C38 65C 49.46 26CD1 25C38 23O 44.41 26CD1 25C38 26CB 32.56 26CD1 25C38 26CG 15.85 26CD1 25C38 64O 87.10 26CD1 25C38 65N 61.51 25SG 25C38 23O 70.52 25SG 25C38 26CB 68.80 255G 25C38 26CG 76.92 25SG 25C38 161C 68.97 275OH2 25C38 65C 83.85 275OH2 25C38 23O 87.47 275OH2 25C38 64O 35.10 275OH2 25C38 161C 89.52 275OH2 25C38 65N 61.32 65C 25C38 23O 62.91 65C 25C38 26CB 71.13 65C 25C38 26CG 55.52 65C 25C38 64O 52.20 65C 25C38 65N 30.26 23O 25C38 26CB 73.10 23O 25C38 26CG 59.68 23O 25C38 64O 61.47 23O 25C38 65N 47.46 26CB 25C38 26CG 17.91 26CB 25C38 65N 91.96 26CG 25C38 65N 74.13 64O 25C38 65N 26.26 65CA 25O39 66N 45.40 65CA 25O39 65C 23.65 65CA 25O39 275OH2 89.27 65CA 25O39 64O 46.55 65CA 25O39 65N 17.11 65CA 25O39 26CD1 69.73 65CA 25O39 23O 68.59 65CA 25O39 64C 33.21 65CA 25O39 66O 84.46 65CA 25O39 66CA 54.04 65CA 25O39 65O 20.83 65CA 25O39 26CG 77.43 65CA 25O39 26NE1 55.20 65CA 25O39 66C 71.68 66N 25O39 65C 22.01 66N 25O39 64O 89.22 66N 25O39 65N 62.07 66N 25O39 26CD1 54.96 66N 25O39 23O 90.19 66N 25O39 64C 78.37 66N 25O39 66O 39.27 66N 25O39 66CA 8.76 66N 25O39 65O 25.54 66N 25O39 26CG 51.40 66N 25O39 26NE1 49.00 66N 25O39 66C 26.33 65C 25O39 64O 69.28 65C 25O39 65N 40.08 65C 25O39 26CD1 57.43 65C 25O39 23O 76.91 65C 25O39 64C 56.85 65C 25O39 66O 60.83 65C 25O39 66CA 30.50 65C 25O39 65O 3.97 65C 25O39 26CG 60.36 65C 25O39 26NE1 45.73 65C 25O39 66C 48.13 275OH2 25O39 64O 44.70 275OH2 25O39 65N 79.36 275OH2 25O39 64C 61.39 275OH2 25O39 161O 78.76 64O 25O39 65N 34.67 64O 25O39 23O 76.69 64O 25O39 64C 16.94 64O 25O39 66CA 97.89 64O 25O39 65O 67.08 64O 25O39 26NE1 93.96 65N 25O39 26CD1 75.00 65N 25O39 23O 58.94 65N 25O39 64C 18.53 65N 25O39 66CA 70.56 65N 25O39 65O 36.76 65N 25O39 26CG 85.84 65N 25O39 26NE1 60.15 65N 25O39 66C 88.15 26CD1 25O39 23O 49.08 26CD1 25O39 64C 91.52 26CD1 25O39 66O 56.07 26CD1 25O39 66CA 53.07 26CD1 25O39 65O 56.44 26CD1 25O39 26CG 14.63 26CD1 25O39 26NE1 14.91 26CD1 25O39 66C 54.99 23O 25O39 64C 64.20 23O 25O39 66CA 93.33 23O 25O39 65O 73.30 23O 25O39 26CG 63.07 23O 25O39 26NE1 44.74 64C 25O39 66CA 87.09 64C 25O39 65O 53.98 64C 25O39 26NE1 77.02 66O 25O39 66CA 30.52 66O 25O39 65O 63.93 66O 25O39 26CG 42.81 66O 25O39 26NE1 62.05 66O 25O39 66C 13.06 66CA 25O39 65O 33.85 66CA 25O39 26CG 47.00 66CA 25O39 26NE1 49.86 66CA 25O39 66C 17.64 65O 25O39 26CG 60.51 65O 25O39 26NE1 44.00 65O 25O39 66C 51.39 26CG 25O39 26NE1 26.93 26CG 25O39 66C 44.17 26NE1 25O39 66C 57.23 25SG 25N40 161O 83.77 25SG 25N40 26CD1 96.23 25SG 25N40 26N 54.32 25SG 25N40 23O 88.72 25SG 25N40 26CB 85.40 25SG 25N40 163N 48.48 25SG 25N40 25CB 12.78 25SG 25N40 2GCG 93.55 25SG 25N40 161C 83.44 25SG 25N40 25N 43.46 25SG 25N40 162CA 55.83 25SG 25N40 26CA 67.26 25SG 25N40 23C 77.46 25SG 25N40 163CB 56.68 25SG 25N40 25CA 30.38 25SG 25N40 25C 40.47 161O 25N40 163N 62.30 161O 25N40 25CB 96.42 161O 25N40 161C 9.97 161O 25N40 162CA 34.15 161O 25N40 163CB 90.03 26CD1 25N40 26N 45.97 26CD1 25N40 23O 47.29 26CD1 25N40 26CB 34.59 26CD1 25N40 25CB 83.86 26CD1 25N40 26CG 16.42 26CD1 25N40 25N 56.97 26CD1 25N40 65CA 53.52 26CD1 25N40 66O 51.90 26CD1 25N40 26CA 42.89 26CD1 25N40 66N 44.25 26CD1 25N40 23C 56.28 26CD1 25N40 163CB 84.60 26CD1 25N40 25CA 66.03 26CD1 25N40 25C 58.27 26N 25N40 23O 70.59 26N 25N40 26CB 33.25 26N 25N40 163N 70.68 26N 25N40 25CB 44.21 26N 25N40 26CG 39.40 26N 25N40 25N 34.54 26N 25N40 65CA 99.36 26N 25N40 66O 73.26 26N 25N40 162CA 97.09 26N 25N40 26CA 16.76 26N 25N40 66N 85.93 26N 25N40 23C 69.38 26N 25N40 163CB 48.13 26N 25N40 25CA 29.29 26N 25N40 25C 13.85 23O 25N40 26CB 79.60 23O 25N40 25CB 77.95 23O 25N40 26CG 63.18 23O 25N40 25N 49.38 23O 25N40 65CA 52.49 23O 25N40 66O 94.81 23O 25N40 26CA 79.46 23O 25N40 66N 70.07 23O 25N40 23C 13.03 23O 25N40 25CA 66.29 23O 25N40 25C 73.80 26CB 25N40 163N 81.30 26CB 25N40 25CB 76.86 26CB 25N40 26CG 18.52 26CB 25N40 25N 64.46 26CB 25N40 65CA 80.54 26CB 25N40 66O 40.01 26CB 25N40 26CA 18.15 26CB 25N40 66N 57.97 26CB 25N40 23C 85.39 26CB 25N40 163CB 51.83 26CB 25N40 25CA 62.52 26CB 25N40 25C 46.36 163N 25N40 25CB 57.29 163N 25N40 26CG 99.16 163N 25N40 161C 55.09 163N 25N40 25N 84.86 163N 25N40 66O 96.57 163N 25N40 162CA 29.80 163N 25N40 26CA 70.11 163N 25N40 163CB 29.52 163N 25N40 25CA 67.98 163N 25N40 25C 62.99 25CB 25N40 26CG 82.58 25CB 25N40 161C 96.21 25CB 25N40 25N 30.92 25CB 25N40 162CA 68.31 25CB 25N40 26CA 58.91 25CB 25N40 23C 67.68 25CB 25N40 163CB 58.44 25CB 25N40 25CA 17.83 25CB 25N40 25C 30.57 26CG 25N40 25N 61.46 26CG 25N40 65CA 64.22 26CG 25N40 66O 41.69 26CG 25N40 26CA 30.63 26CG 25N40 66N 46.53 26CG 25N40 23C 71.01 26CG 25N40 163CB 69.91 26CG 25N40 25CA 65.57 26CG 25N40 25C 53.15 161C 25N40 162CA 29.49 161C 25N40 163CB 81.51 25N 25N40 65CA 97.53 25N 25N40 162CA 99.23 25N 25N40 26CA 50.89 25N 25N40 23C 41.97 25N 25N40 163CB 74.65 25N 25N40 25CA 16.92 25N 25N40 25C 28.88 65CA 25N40 66O 62.01 65CA 25N40 26CA 94.78 65CA 25N40 66N 28.94 65CA 25N40 23C 64.73 66O 25N40 26CA 57.46 66O 25N40 66N 33.09 66O 25N40 163CB 72.28 66O 25N40 25C 86.11 162CA 25N40 26CA 99.40 162CA 25N40 163CB 59.22 162CA 25N40 25CA 84.50 162CA 25N40 25C 86.43 26CA 25N40 66N 75.24 26CA 25N40 23C 81.32 26CA 25N40 163CB 42.44 26CA 25N40 25CA 45.63 26CA 25N40 25C 28.66 66N 25N40 23C 83.06 66N 25N40 25C 99.63 23C 25N40 25CA 58.57 23C 25N40 25C 69.36 163CB 25N40 25CA 59.45 163CB 25N40 25C 46.39 25CA 25N40 25C 17.68 25SG 25C41 25N 62.70 25SG 25C41 26N 62.65 25SG 25C41 25CB 23.96 25SG 25C41 25CA 43.98 25SG 25C41 24N 98.96 25SG 25C41 24C 76.68 25SG 25C41 25C 48.95 25SG 25C41 26CB 86.53 25SG 25C41 24CA 95.08 25SG 25C41 161O 70.41 25SG 25C41 26CA 70.68 23O 25C41 25N 69.35 23O 25C41 23C 19.72 23O 25C41 26CD1 58.41 23O 25C41 26N 90.56 23O 25C41 25CA 89.48 23O 25C41 23CA 34.94 23O 25C41 24N 31.63 23O 25C41 24C 57.25 23O 25C41 25C 94.72 23O 25C41 26CB 91.35 23O 25C41 26CG 73.21 23O 25C41 24CA 37.60 23O 25C41 65CA 57.07 23O 25C41 26NE1 46.32 23O 25C41 26CA 94.04 25N 25C41 23C 58.58 25N 25C41 26CD1 71.53 25N 25C41 26N 42.84 25N 25C41 25CB 39.04 25N 25C41 25CA 20.25 25N 25C41 23CA 71.04 25N 25C41 24N 41.24 25N 25C41 24C 14.76 25N 25C41 25C 33.26 25N 25C41 26CB 72.91 25N 25C41 26CG 71.59 25N 25C41 24CA 32.43 25N 25C41 26NE1 71.77 25N 25C41 26CA 57.10 23C 25C41 26CD1 72.85 23C 25C41 26N 90.94 23C 25C41 25CB 91.53 23C 25C41 25CA 78.46 23C 25C41 23CA 20.98 23C 25C41 24N 17.34 23C 25C41 24C 50.23 23C 25C41 25C 89.47 23C 25C41 26CG 86.15 23C 25C41 24CA 32.48 23C 25C41 65CA 75.78 23C 25C41 26NE1 61.91 23C 25C41 26CA 99.05 26CD1 25C41 26N 51.41 26CD1 25C41 25CA 79.66 26CD1 25C41 23CA 92.59 26CD1 25C41 24N 70.00 26CD1 25C41 24C 58.88 26CD1 25C41 25C 66.43 26CD1 25C41 26CB 34.11 26CD1 25C41 26CG 15.31 26CD1 25C41 24CA 54.83 26CD1 25C41 65CA 55.19 26CD1 25C41 26NE1 12.42 26CD1 25C41 26CA 44.47 26N 25C41 25CB 51.65 26N 25C41 25CA 35.77 26N 25C41 24N 75.80 26N 25C41 24C 42.85 26N 25C41 25C 16.65 26N 25C41 26CB 33.09 26N 25C41 26CG 41.38 26N 25C41 24CA 58.47 26N 25C41 26NE1 60.33 26N 25C41 26CA 14.86 25CB 25C41 25CA 22.08 25CB 25C41 23CA 94.98 25CB 25C41 24N 75.58 25CB 25C41 24C 53.42 25CB 25C41 25C 35.13 25CB 25C41 26CB 82.86 25CB 25C41 26CG 92.88 25CB 25C41 24CA 71.25 25CB 25C41 161O 93.68 25CB 25C41 26CA 64.25 25CA 25C41 23CA 88.69 25CA 25C41 24N 61.20 25CA 25C41 24C 32.93 25CA 25C41 25C 20.29 25CA 25C41 26CB 68.87 25CA 25C41 26CG 74.42 25CA 25C41 24CA 52.13 25CA 25C41 26NE1 83.73 25CA 25C41 26CA 50.39 23CA 25C41 24N 33.53 23CA 25C41 24C 66.67 23CA 25C41 24CA 51.61 23CA 25C41 65CA 80.98 23CA 25C41 26NE1 80.92 24N 25C41 24C 33.63 24N 25C41 25C 72.54 24N 25C41 26CB 93.33 24N 25C41 26CG 80.45 24N 25C41 24CA 18.67 24N 25C41 65CA 88.30 24N 25C41 26NE1 61.55 24N 25C41 26CA 85.94 24C 25C41 25C 39.29 24C 25C41 26CB 67.28 24C 25C41 26CG 61.65 24C 2SC41 24CA 19.66 24C 25C41 26NE1 57.67 24C 25C41 26CA 54.90 25C 25C41 26CB 49.26 25C 25C41 26CG 57.75 25C 25C41 24CA 58.24 25C 25C41 26NE1 73.78 25C 25C41 26CA 30.51 26CB 25C41 26CG 18.80 26CB 25C41 24CA 74.83 26CB 25C41 65CA 78.82 26CB 25C41 26NE1 46.51 26CB 25C41 26CA 18.80 26CG 25C41 24CA 63.20 26CG 25C41 65CA 65.01 26CG 25C41 26NE1 27.72 26CG 25C41 26CA 31.31 24CA 25C41 65CA 87.25 24CA 25C41 26NE1 48.94 24CA 25C41 26CA 67.55 65CA 25C41 26NE1 49.22 65CA 25C41 26CA 95.86 26NE1 25C41 26CA 55.54 275OH2 25N42 161O 84.19 275OH2 25N42 66N 91.61 275OH2 25N42 65CA 62.05 275OH2 25N42 161C 94.32 275OH2 25N42 161CA 94.57 161O 25N42 161C 13.86 161O 25N42 160O 61.38 161O 25N42 161CA 29.35 66N 25N42 66O 34.84 66N 25N42 65CA 29.86 66O 25N42 65CA 63.11 161C 25N42 160O 47.97 161C 25N42 161CA 17.98 160O 25N42 161CA 33.22

TABLE XIII Table of angles between atoms of the inhibitor and protein for all protein atoms within 5 Angstroms of the inhibitor 2,2′-N,N′- bis-benzyloxycarbonyl-L-leucinylcarbohydrazide. Atom 1 Atom 2 Atom 3 Angle Atom 1 Atom 2 Atom 3 Angle 184CB 25C1 184O 38.19 184CB 25C1 184CG 19.52 184CB 25C1 184CD2 33.79 184CB 25C1 184CE3 43.09 184CB 25C1 188CD1 58.81 184O 25C1 184CG 56.83 184O 25C1 184CD2 71.93 184O 25C1 184CE3 78.59 184O 25C1 188CD1 69.71 184CG 25C1 184CD2 17.68 184CG 25C1 184CE3 32.58 184CG 25C1 188CD1 65.18 184CD2 25C1 184CE3 17.04 184CD2 25C1 188CD1 58.90 184CE3 25C1 188CD1 45.42 184O 25C2 184CB 44.21 184O 25C2 18OD1 53.44 184O 25C2 184C 13.95 184O 25C2 184CA 33.42 184O 25C2 184CG 63.00 184CB 25C2 18OD1 67.91 184CB 25C2 184C 34.94 184CB 25C2 184CA 20.32 184CB 25C2 184CG 19.43 18OD1 25C2 184C 45.96 18OD1 25C2 184CA 48.12 18OD1 25C2 184CG 73.56 184C 25C2 184CA 20.19 184C 25C2 184CG 52.12 184CA 25C2 184CG 33.37 18OD1 25C3 184CB 80.07 18OD1 25C3 184O 59.68 18OD1 25C3 184CA 57.15 18OD1 25C3 184CG 89.66 18OD1 25C3 184C 51.33 18OD1 25C3 184CD1 82.13 18OD1 25C3 18CG 11.24 18OD1 25C3 18ND2 27.16 18OD1 25C3 20O 73.60 184CB 25C3 184O 44.39 184CB 25C3 184CA 22.92 184CB 25C3 184CG 22.24 184CB 25C3 184C 36.34 184CB 25C3 184CD1 37.05 184CB 25C3 18CG 84.56 184CB 25C3 18ND2 96.50 184CB 25C3 184CD2 33.32 184O 25C3 184CA 36.38 184O 25C3 184CG 66.41 184O 25C3 184C 16.67 184O 25C3 184CD1 77.34 184O 25C3 18CG 56.51 184O 25C3 18ND2 60.61 184O 25C3 184CD2 76.89 184CA 25C3 184CG 37.43 184CA 25C3 184C 21.29 184CA 25C3 184CD1 42.36 184CA 25C3 18CG 62.14 184CA 25C3 18ND2 75.37 184CA 25C3 184CD2 52.39 184CG 25C3 184C 56.26 184CG 25C3 184CD1 18.80 184CG 25C3 18CG 97.29 184CG 25C3 184CD2 15.81 184CG 25C3 20O 99.33 184C 25C3 184CD1 63.60 184C 25C3 18CG 51.80 184C 25C3 18ND2 61.00 184C 25C3 184CD2 69.50 184CD1 25C3 18CG 91.92 184CD1 25C3 184CD2 27.91 184CD1 25C3 20O 80.68 18CG 25C3 18ND2 16.43 18CG 25C3 20O 80.57 18ND2 25C3 20O 85.65 184CG 25C4 184CD1 22.16 184CG 25C4 184CB 23.25 184CG 25C4 184NE1 33.38 184CG 25C4 184CD2 20.04 184CG 25C4 184CA 36.56 184CG 25C4 18OD1 84.23 184CG 25C4 184CE2 31.43 184CG 25C4 184O 59.49 184CG 25C4 184CE3 31.14 184CG 25C4 184C 50.73 184CD1 25C4 184CB 40.60 184CD1 25C4 184NE1 19.22 184CD1 25C4 184CD2 33.07 184CD1 25C4 184CA 43.38 184CD1 25C4 18OD1 80.63 184CD1 25C4 184CE2 30.49 184CD1 25C4 20O 96.73 184CD1 25C4 184O 72.55 184CD1 25C4 184CE3 47.65 184CD1 25C4 184C 60.18 184CB 25C4 184NE1 55.95 184CB 25C4 184CD2 38.71 184CB 25.C4 184CA 20.96 184CB 25C4 18OD1 69.40 184CB 25C4 184CE2 54.07 184CB 25C4 184O 36.44 184CB 25C4 184CE3 42.67 184CB 25C4 184C 29.74 184NE1 25C4 184CD2 31.83 184NE1 25C4 184CA 62.30 184NE1 25C4 18OD1 97.90 184NE1 25C4 184CE2 18.20 184NE1 25C4 20O 93.72 184NE1 25C4 184O 90.55 184NE1 25C4 184CE3 45.60 184NE1 25C4 184C 78.96 184CD2 25C4 184CA 55.86 184CD2 25C4 184CE2 18.77 184CD2 25C4 184O 74.24 184CD2 25C4 184CE3 14.78 184CD2 25C4 184C 68.30 184CA 25C4 18OD1 49.23 184CA 25C4 184CE2 67.15 184CA 25C4 184O 30.22 184CA 25C4 184CE3 62.73 184CA 25C4 184C 16.85 18OD1 25C4 20O 73.28 18OD1 25C4 184O 46.75 18OD1 25C4 184C 42.18 184CE2 25C4 184O 90.51 184CE2 25C4 184CE3 29.58 184CE2 25C4 184C 82.12 184O 25C4 184CE3 73.98 184O 25C4 184C 14.33 184CE3 25C4 184C 71.72 184CG 25C5 184CD2 22.73 184CG 25C5 184CD1 20.69 184CG 25C5 184CE2 35.01 184CG 25C5 184NE1 33.46 184CG 25C5 184CB 21.39 184CG 25C5 184CE3 38.46 184CG 25C5 184CZ2 50.35 184CG 25C5 184CZ3 51.39 184CG 25C5 184CA 29.48 184CD2 25C5 184CD1 34.47 184CD2 25C5 184CE2 21.03 184CD2 25C5 184NE1 33.32 184CD2 25C5 184CB 39.17 184CD2 25C5 184CE3 19.36 184CD2 25C5 184CZ2 31.82 184CD2 25C5 184CZ3 29.20 184CD2 25C5 184CA 51.36 184CD1 25C5 184CE2 33.24 184CD1 25C5 184NE1 19.76 184CD1 25C5 184CB 37.53 184CD1 25C5 184CE3 53.61 184CD1 25C5 184CZ2 49.12 184CD1 25C5 184CZ3 62.53 184CD1 25C5 184CA 36.61 184CE2 25C5 184NE1 19.71 184CE2 25C5 184CB 55.77 184CE2 25C5 184CE3 34.70 184CE2 25C5 184CZ2 16.25 184CE2 25C5 184CZ3 34.98 184CE2 25C5 184CA 63.76 184NE1 25C5 184CB 54.14 184NE1 25C5 184CE3 51.39 184NE1 25C5 184CZ2 32.74 184NE1 25C5 184CZ3 54.44 184NE1 25C5 184CA 56.07 184CB 25C5 184CE3 47.44 184CB 25C5 184CZ2 70.15 184CB 25C5 184CZ3 62.99 184CB 25C5 184CA 16.19 184CE3 25C5 184CZ2 37.12 184CE3 25C5 184CZ3 15.81 184CE3 25C5 184CA 62.73 184CZ2 25C5 184CZ3 29.69 184CZ2 25C5 184CA 79.60 184CZ3 25C5 184CA 77.85 184CD2 25C6 184CE3 19.98 184CD2 25C6 184CG 20.21 184CD2 25C6 184CB 36.83 184CD2 25C6 184CE2 17.00 184CD2 25C6 184CZ3 30.72 184CD2 25C6 184CD1 27.90 184CE3 25C6 184CG 37.11 184CE3 25C6 184CB 46.74 184CE3 25C6 184CE2 31.55 184CE3 25C6 184CZ3 16.21 184CE3 25C6 184CD1 47.70 184CG 25C6 184CB 20.58 184CG 25C6 184CE2 29.67 184CG 25C6 184CZ3 50.48 184CG 25C6 184CD1 15.71 184CB 25C6 184CE2 49.78 184CB 25C6 184CZ3 62.65 184CB 25C6 184CD1 32.55 184CE2 25C6 184CZ3 34.33 184CE2 25C6 184CD1 27.45 184CZ3 25C6 184CD1 57.71 20O 25C7 19CG 65.72 20O 25C7 20C 13.67 20O 25C7 20N 42.52 20O 25C7 18OD1 88.27 20O 25C7 19CD 74.17 20O 25C7 20CA 32.34 20O 25C7 19NE2 65.37 20O 25C7 19OE1 87.32 20O 25C7 19C 42.11 184CD1 25C7 19CG 67.76 184CD1 25C7 184NE1 21.55 184CD1 25C7 184CG 19.86 184CD1 25C7 18OD1 84.02 184CD1 25C7 19CD 60.66 184CD1 25C7 184CE2 29.40 184CD1 25C7 184CB 34.91 184CD1 25C7 19NE2 73.46 184CD1 25C7 184CD2 28.08 184CD1 25C7 184CA 40.17 184CD1 25C7 183O 43.72 184CD1 25C7 19OE1 47.61 184CD1 25C7 19C 99.25 19CG 25C7 184NE1 69.79 19CG 25C7 184CG 86.16 19CG 25C7 20C 70.46 19CG 25C7 20N 50.72 19CG 25C7 18OD1 75.31 19CG 25C7 19CD 20.77 19CG 25C7 20CA 67.17 19CG 25C7 184CE2 86.39 19CG 25C7 184CB 91.37 19CG 25C7 19NE2 32.57 19CG 25C7 184CD2 94.84 19CG 25C7 184CA 78.19 19CG 25C7 183O 44.08 19CG 25C7 19OE1 28.49 19CG 25C7 19C 38.77 184NE1 25C7 184CG 34.11 184NE1 25C7 19CD 55.36 184NE1 25C7 184CE2 16.60 184NE1 25C7 184CB 52.97 184NE1 25C7 19NE2 62.84 184NE1 25C7 184CD2 29.31 184NE1 25C7 184CA 61.52 184NE1 25C7 183O 60.91 184NE1 25C7 19OE1 42.84 184CG 25C7 18OD1 81.09 184CG 25C7 19CD 80.51 184CG 25C7 184CE2 31.09 184CG 25C7 184CB 19.37 184CG 25C7 19NE2 92.98 184CG 25C7 184CD2 17.53 184CG 25C7 184CA 33.64 184CG 25C7 183O 53.42 184CG 25C7 19OE1 67.47 20C 25C7 20N 35.03 20C 25C7 18OD1 76.84 20C 25C7 19CD 82.78 20C 25C7 20CA 20.30 20C 25C7 19NE2 76.56 20C 25C7 183O 97.75 20C 25C7 19OE1 95.52 20C 25C7 19C 38.85 20N 25C7 18OD1 48.08 20N 25C7 19CD 70.24 20N 25C7 20CA 19.43 20N 25C7 19NE2 74.34 20N 25C7 184CA 87.18 20N 25C7 183O 63.69 20N 25C7 19OE1 79.16 20N 25C7 19C 12.46 1SOD1 25C7 19CD 94.22 18OD1 25C7 20CA 56.55 18OD1 25C7 184CB 64.46 18OD1 25C7 184CD2 98.02 1BOD1 25C7 184CA 47.47 18OD1 25C7 183O 48.16 18OD1 25C7 19OE1 93.80 18OD1 25C7 19C 55.42 19CD 25C7 20CA 84.64 19CD 25C7 184CE2 71.23 19CD 25C7 184CB 91.94 19CD 25C7 19NE2 17.10 19CD 25C7 184CD2 83.77 19CD 25C7 184CA 84.58 19CD 25C7 183O 54.34 19CD 25C7 19OE1 13.19 19CD 25C7 19C 57.87 20CA 25C7 19NE2 84.21 20CA 25C7 183O 82.52 20CA 25C7 19OE1 95.40 20CA 25C7 19C 28.93 184CE2 25C7 184CB 50.04 184CE2 25C7 19NE2 76.55 184CE2 25C7 184CD2 18.00 184CE2 25C7 184CA 64.00 184CE2 25C7 183O 72.92 184CE2 25C7 19OE1 59.12 184CB 25C7 184CD2 34.04 184CB 25C7 184CA 19.42 184CB 25C7 183O 50.23 184CB 25C7 19OE1 79.91 19NE2 25C7 184CD2 92.14 19NE2 25C7 183O 71.31 19NE2 25C7 19OE1 27.20 19NE2 25C7 19C 62.12 184CD2 25C7 184CA 50.81 184CD2 25C7 183O 69.19 184CD2 25C7 19OE1 70.74 184CA 25C7 183O 34.36 184CA 25C7 19OE1 74.90 184CA 25C7 19C 87.64 183O 25C7 19OE1 48.64 183O 25C7 19C 59.18 19OE1 25C7 19C 67.25 20O 25O8 20C 10.26 20O 2598 19CG 58.52 20O 25O8 19NE2 68.66 20O 25O8 19CD 71.25 20O 25O8 20CA 23.15 20O 25O8 20N 31.47 20O 25O8 21N 16.79 20O 25O8 21CA 28.59 20C 25O8 19CG 64.70 20C 25O8 19NE2 78.30 20C 25O8 19CD 79.37 20C 25O8 20CA 16.86 20C 25O8 20N 30.40 20C 25O8 21N 12.70 20C 25O8 21CA 28.94 184NE1 25O8 184CD1 18.63 184NE1 25O8 19CG 59.96 184NE1 25O8 19NE2 61.10 184NE1 25O8 19CD 50.56 184NE1 25O8 184CE2 16.07 184NE1 25O8 20N 95.41 184NE1 25O8 184CG 27.36 184CD1 25O8 19CG 54.74 184CD1 25O8 19NE2 67.50 184CD1 25O8 19CD 52.79 184CD1 25O8 184CE2 28.00 184CD1 25O8 20CA 98.14 184CD1 25O8 20N 81.88 184CD1 25O8 184CG 15.43 19CG 25O8 19NE2 32.50 19CG 2598 19CD 19.73 19CG 25O8 184CE2 76.01 19CG 25O8 20CA 58.57 19CG 25O8 20N 42.57 19CG 25O8 184CG 68.67 19CG 25O8 21N 75.23 19CG 25O8 21CA 84.51 19NE2 25O8 19CD 17.06 19NE2 25O8 184CE2 74.74 19NE2 25O8 20CA 80.50 19NE2 25O8 20N 68.75 19NE2 25O8 184CG 82.83 19NE2 25O8 21N 83.53 19NE2 25O8 21CA 83.71 19CD 25O8 184CE2 66.00 19CD 25O8 20CA 76.51 19CD 25O8 20N 61.57 19CD 25O8 184CG 68.20 19CD 25O8 21N 87.76 19CD 25O8 21CA 92.52 184CE2 25O8 184CG 27.48 20CA 25O8 20N 17.27 20CA 25O8 21N 28.61 20CA 25O8 21CA 45.46 20N 25O8 184CG 88.95 20N 25O8 21N 43.10 20N 25O8 21CA 58.85 21N 25O8 21CA 16.97 20O 25C9 19NE2 82.43 20O 25C9 19CD 79.79 20O 25C9 19CG 60.88 20O 25C9 20C 3.58 20O 25C9 22O 59.91 20O 25C9 184CD1 98.95 20O 25C9 19OE1 91.12 20O 25C9 22N 39.58 20O 25C9 21CA 31.39 20O 25C9 21OE1 65.02 19NE2 25C9 19CD 19.36 19NE2 25C9 19CG 36.33 19NE2 25C9 184NE1 69.05 19NE2 25C9 20C 86.00 19NE2 25C9 22O 36.71 19NE2 25C9 184CD1 71.62 19NE2 25C9 19OE1 26.23 19NE2 25C9 22N 69.60 19NE2 25C9 184CE2 82.17 19NE2 25C9 21CA 96.36 19CD 25C9 19CG 21.85 19CD 25C9 184NE1 54.74 19CD 25C9 20C 83.26 19CD 25C9 22O 50.79 19CD 25C9 184CD1 53.82 19CD 25C9 19OE1 12.53 19CD 25C9 22N 79.86 19CD 25C9 184CE2 69.35 19CG 25C9 184NE1 61.67 19CG 25C9 20C 64.10 19CG 25C9 22O 53.24 19CG 25C9 184CD1 53.39 19CG 25C9 19OE1 30.83 19CG 25C9 22N 72.73 19CG 25C9 184CE2 76.64 19CG 25C9 21CA 87.99 184NE1 25C9 184CD1 16.96 184NE1 25C9 19OE1 43.53 184NE1 25C9 184CE2 15.12 20C 25C9 22O 62.84 20C 25C9 19OE1 94.48 20C 25C9 22N 40.82 20C 25C9 21CA 29.72 20C 25C9 21OE1 62.22 22O 25C9 19OE1 61.50 22O 25C9 22N 33.67 22O 25C9 21CA 61.98 22O 25C9 21OE1 90.36 184CD1 25C9 19OE1 45.59 184CD1 25C9 184CE2 27.01 19OE1 25C9 22N 92.00 19OE1 25C9 184CE2 57.64 22N 25C9 21CA 28.69 22N 25C9 21OE1 58.53 21CA 25C9 21OE1 36.88 20O 25O10 22O 85.43 20O 25O10 19CD 97.70 20O 25O10 19CG 73.17 20O 25O10 22N 56.64 20O 25O10 20C 5.18 20O 25O10 22C 86.37 20O 25O10 21CA 39.27 20O 25O10 21C 51.49 20O 25O10 21N 20.36 20O 25O10 22CA 70.79 20O 25O10 19CB 67.40 20O 25O10 20N 28.18 20O 25O10 20CA 10.76 20O 25O10 21OE1 68.78 19NE2 25O10 22O 52.26 19NE2 25O10 19CD 20.65 19NE2 25O10 19CG 42.35 19NE2 25O10 22N 96.61 19NE2 25O10 22C 66.07 19NE2 25O10 19OE1 22.91 19NE2 25O10 22CA 82.67 19NE2 25O10 19CB 43.12 19NE2 25O10 20N 84.11 19NE2 25O10 23N 64.93 19NE2 25O10 184NE1 62.68 19NE2 25O10 23CA 53.12 22O 25O10 19CD 65.17 22O 25O10 19CG 68.00 22O 25O10 22N 45.38 22O 25O10 20C 81.85 22O 25O10 22C 15.92 22O 25O10 21CA 79.66 22O 25O10 21C 61.19 22O 25O10 21N 79.35 22O 25O10 19OE1 72.72 22O 25O10 22CA 30.41 22O 25O10 19CB 55.31 22O 25O10 20N 77.38 22O 25O10 23N 24.55 22O 25O10 20CA 82.51 22O 25O10 23CA 30.74 19CD 25O10 19CG 24.88 19CD 25O10 20C 99.46 19CD 25O10 22C 80.69 19CD 25O10 19OE1 10.13 19CD 25O10 22CA 93.93 19CD 25O10 19CB 31.83 19CD 25O10 20N 69.77 19CD 25O10 23N 82.79 19CD 25O10 20CA 87.09 19CD 25O10 184NE1 49.90 19CD 25O10 23CA 72.96 19CG 25O10 22N 93.59 19CG 25O10 20C 75.37 19CG 25O10 22C 83.51 19CG 25O10 21N 89.04 19CG 25O10 19OE1 32.51 19CG 25O10 22CA 89.71 19CG 25O10 19CB 14.55 19CG 25O10 20N 45.05 19CG 25O10 23N 91.20 19CG 25O10 20CA 62.46 19CG 25O10 184NE1 58.10 19CG 25O10 23CA 87.28 22N 25O10 20C 51.51 22N 25O10 22C 36.02 22N 25O10 21CA 34.76 22N 25O10 21C 15.90 22N 25O10 21N 40.79 22N 25O10 22CA 16.92 22N 25O10 19CB 79.30 22N 25O10 20N 69.27 22N 25O10 23N 46.59 22N 25O10 20CA 61.11 22N 25O10 21OE1 66.06 22N 25O10 23CA 63.27 20C 25O10 22C 81.89 20C 25O10 21CA 35.03 20C 25O10 21C 46.40 20C 25O10 21N 15.83 20C 25O10 22CA 65.90 20C 25O10 19CB 68.42 20C 25O10 20N 30.90 20C 25O10 23N 95.35 20C 25O10 20CA 14.07 20C 25O10 21OE1 66.77 22C 25O10 21CA 70.57 22C 25O10 21C 50.65 22C 25O10 21N 75.18 22C 25O10 19OE1 87.67 22C 25O10 22CA 19.15 22C 25O10 19CB 70.26 22C 25O10 12ON 85.66 22C 25O10 23N 14.18 22C 25O10 20CA 86.38 22C 25O10 21OE1 94.63 22C 25O10 23CA 28.51 21CA 25O10 21C 20.23 21CA 25O10 21N 19.26 21CA 25O10 22CA 51.43 21CA 25O10 19CB 95.98 21CA 25O10 20N 65.09 21CA 25O10 23N 79.47 21CA 25O10 20CA 49.07 21CA 25O10 21OE1 39.22 21CA 25O10 23CA 96.32 21C 25O10 21N 32.16 21C 25O10 22CA 31.67 21C 25O10 19CB 90.80 21C 25O10 20N 71.25 21C 25O10 23N 59.25 21C 25O10 20CA 58.84 21C 25O10 21OE1 50.69 21C 25O10 23CA 76.11 21N 25O10 22CA 57.03 21N 25O10 19CB 80.04 21N 25O10 20N 45.98 21N 25O10 23N 87.15 21N 25O10 20CA 29.82 21N 25O10 21OE1 54.21 19OE1 25O10 19CB 41.46 19OE1 25O10 20N 77.43 19OE1 25O10 23N 87.76 19OE1 25O10 20CA 94.86 19OE1 25O10 184NE1 41.58 19OE1 25O10 23CA 75.81 22CA 25O10 19CB 75.23 22CA 25O10 2ON 77.28 22CA 25O10 23N 30.13 22CA 25O10 20CA 73.19 22CA 25O10 21OE1 78.69 22CA 25O10 23CA 46.56 19CB 25O10 20N 41.01 19CB 25O10 23N 79.42 19CB 25O10 20CA 57.32 19CB 25O10 184NE1 72.38 19CB 25O10 23CA 78.47 20N 25O10 23N 99.51 20N 25O10 20CA 17.43 20N 25O10 184NE1 88.50 20N 25O10 21OE1 96.89 23N 25O10 21OE1 95.90 23N 25O10 23CA 16.87 20CA 25O10 21OE1 79.48 19NE2 25C11 19CD 13.29 19NE2 25C11 184NE1 59.74 19NE2 25C11 22O 32.16 19CD 25C11 184NE1 46.55 19CD 25C11 22O 44.12 184NE1 25C11 22O 89.70 19NE2 25C12 22O 39.61 19NE2 25C12 23CA 60.70 19NE2 25C12 22C 55.91 19NE2 25C12 23N 65.25 19NE2 25C12 224OH2 93.02 19NE2 25C12 22N 67.68 19NE2 25C12 19CD 8.19 19NE2 25C12 20O 56.75 22O 25C12 23CA 39.57 22O 25C12 22C 16.82 22O 25C12 23N 31.30 22O 25C12 224OH2 75.08 22O 25C12 22N 34.48 22O 25C12 19CD 46.01 22O 25C12 20O 50.49 23CA 25C12 22C 33.54 23CA 25C12 23N 19.76 23CA 25C12 224OH2 36.28 23CA 25C12 22N 62.96 23CA 25C12 19CD 68.87 23CA 25C12 20O 89.77 22C 25C12 23N 17.94 22C 25C12 224OH2 64.69 22C 25C12 22N 29.81 22C 25C12 19CD 62.67 22C 25C12 20O 58.58 23N 25C12 224OH2 46.80 23N 25C12 22N 44.68 23N 25C12 19CD 73.05 23N 25C12 20O 76.44 224OH2 25C12 22N 89.06 22N 25C12 19CD 71.05 22N 25C12 20O 37.38 19CD 25C12 20O 54.60 21OE1 25C13 22N 66.00 21OE1 25C13 22C 95.57 21OE1 25C13 22O 97.18 21OE1 25C13 21C 51.73 22N 25C13 22C 29.65 22N 25C13 23N 43.65 22N 25C13 22O 33.57 22N 25C13 21C 15.61 22N 25C13 23CA 58.56 22C 25C13 23N 16.28 22C 25C13 22O 14.98 22C 25C13 21C 44.10 22C 25C13 23CA 29.00 23N 25C13 22O 27.57 23N 25C13 21C 56.18 23N 25C13 23CA 17.03 22O 25C13 21C 49.18 22O 25C13 23CA 33.12 21C 25C13 23CA 72.30 22N 25C14 21C 21.24 22N 25C14 22C 38.14 22N 25C14 21OE1 82.54 22N 25C14 23N 56.21 22N 25C14 22CA 22.02 22N 25C14 21CA 36.01 22N 25C14 210 33.22 22N 25C14 22O 40.42 22N 25C14 23CA 70.62 22N 25C14 20O 41.05 22N 25C14 21CB 49.85 22N 25C14 21CD 75.68 21C 25C14 22C 58.12 21C 25C14 21OE1 65.17 21C 25C14 23N 74.13 21C 25C14 22CA 37.70 21C 25C14 21CA 21.82 21C 25C14 210 17.02 21C 25C14 22O 61.64 21C 25C14 23CA 90.21 21C 25C14 20O 46.27 21C 25C14 21CB 30.54 21C 25C14 21CD 59.45 22C 25C14 23N 20.02 22C 25C14 22CA 22.87 22C 25C14 21CA 73.72 22C 25C14 21O 63.62 22C 25C14 22O 16.99 22C 25C14 23CA 32.48 22C 25C14 20O 63.32 22C 25C14 21CB 87.93 21OE1 25C14 21CA 46.55 21OE1 25C14 210 68.11 21OE1 25C14 20O 64.41 21OE1 25C14 21CB 34.92 21OE1 25C14 21CD 7.92 23N 25C14 22CA 36.43 23N 25C14 21CA 92.21 23N 25C14 210 75.11 23N 25C14 22O 32.42 23N 25C14 23CA 17.87 23N 25C14 20O 82.87 22CA 25C14 21CA 56.88 22CA 25C14 210 40.83 22CA 25C14 22O 34.41 22CA 25C14 23CA 53.03 22CA 25C14 20O 60.12 22CA 25C14 21CB 68.24 22CA 25C14 21CD 96.45 21CA 25C14 210 34.25 21CA 25C14 22O 71.57 21CA 25C14 20O 35.31 21CA 25C14 21CB 17.17 21CA 25C14 21CD 39.72 210 25C14 22O 71.78 210 25C14 23CA 92.77 210 25C14 20O 63.21 210 25C14 21CB 34.50 210 25C14 21CD 64.40 22O 25C14 23CA 37.01 22O 25C14 20O 51.83 22O 25C14 21CB 88.01 23CA 25C14 20O 88.32 20O 25C14 21CB 50.65 20O 25C14 21CD 56.60 21CB 25C14 21CD 30.13 21OE1 25C15 21CD 12.20 21OE1 25C15 21NE2 26.50 21OE1 25C15 21CA 39.20 21OE1 25C15 20O 65.35 21CD 25C15 21NE2 16.43 21CD 25C15 21CA 39.53 21CD 25C15 20O 59.46 21NE2 25C15 21CA 53.49 21NE2 25C15 20O 65.84 21CA 25C15 20O 32.72 19NE2 25C16 19CD 16.53 19NE2 25C16 162ND1 88.72 19NE2 25C16 19OE1 31.45 19NE2 25C16 162CE1 76.13 19NE2 25C16 184NE1 68.38 19NE2 25C16 184CE2 84.59 19NE2 25C16 25SG 70.09 19NE2 25C16 23CA 54.01 19NE2 25C16 22O 29.07 19CD 25C16 162ND1 77.07 19CD 25C16 19OE1 16.88 19CD 25C16 162CE1 62.31 19CD 25C16 184NE1 52.74 19CD 25C16 184CZ2 85.13 19CD 25C16 184CE2 69.00 19CD 25C16 25SG 69.54 19CD 25C16 23CA 69.33 19CD 25C16 22O 45.46 162ND1 25C16 19OE1 60.33 162ND1 25C16 162CE1 17.92 162ND1 25C16 184NE1 63.79 162ND1 25C16 184CZ2 60.49 162ND1 25C16 184CE2 63.53 162ND1 25C16 25SG 43.67 19OE1 25C16 162CE1 45.48 19OE1 25C16 184NE1 45.86 19OE1 25C16 184CZ2 75.36 19OE1 25C16 184CE2 61.18 19OE1 25C16 25SG 59.93 19OE1 25C16 23CA 78.49 19OE1 25C16 22O 60.19 162CE1 25C16 184NE1 47.41 162CE1 25C16 184CZ2 52.59 162CE1 25C16 184CE2 50.53 162CE1 25C16 25SG 51.17 184NE1 25C16 184CZ2 32.85 184NE1 25C16 184CE2 16.26 184NE1 25C16 25SG 93.75 184NE1 25C16 22O 94.69 184CZ2 25C16 184CE2 17.00 25SG 25C16 23CA 63.45 25SG 25C16 22O 79.20 23CA 25C16 22O 32.47 19NE2 25O17 184NE1 87.64 19NE2 25O17 162CE1 97.12 19NE2 25O17 19OE1 40.11 19NE2 25O17 19CD 22.12 19NE2 25617 184CD1 77.66 19NE2 25O17 25CB 62.38 19NE2 25O17 25SG 74.14 19NE2 25O17 19CG 26.63 184NE1 25O17 162CE1 65.10 184NE1 25O17 162ND1 86.13 184NE1 25O17 19OE1 60.63 184NE1 25O17 19CD 67.63 184NE1 25O17 184CZ2 42.58 184NE1 25O17 184CE2 20.97 184NE1 25O17 162NE2 55.54 184NE1 25O17 162CG 83.50 184NE1 25O17 184CD1 10.23 184NE1 25O17 25CB 94.14 184NE1 25O17 19CG 61.07 184NE1 25O17 162CD2 67.31 184NE1 25O17 184CH2 48.57 162CE1 25O17 162ND1 23.08 162CE1 25O17 19OE1 59.61 162CE1 25O17 19CD 80.14 162CE1 25O17 184CZ2 69.34 162CE1 25O17 184CE2 67.58 162CE1 25O17 162NE2 14.63 162CE1 25O17 162CG 29.19 162CE1 25O17 184CD1 69.18 162CE1 25917 25CB 46.12 162CE1 25O17 25SG 57.25 162CE1 25O17 19CG 86.83 162CE1 25O17 162CD2 22.83 162CE1 25O17 184CH2 73.20 162ND1 25O17 19OE1 77.34 162ND1 25O17 19CD 96.95 162ND1 25O17 184CZ2 77.78 162ND1 25O17 184CE2 83.59 162ND1 25O17 162NE2 30.71 162ND1 25O17 162CG 13.98 162ND1 25O17 184CD1 91.47 162ND1 25O17 25CB 47.42 162ND1 25O17 25SG 46.98 162ND1 25O17 162CD2 23.75 162ND1 25O17 184CH2 79.38 19OE1 25O17 19CD 20.54 19OE1 25O17 184CZ2 99.66 19OE1 25O17 184CE2 80.49 19OE1 25O17 162NE2 66.69 19OE1 25O17 162CG 88.06 19OE1 25O17 184CD1 53.52 19OE1 25O17 25CB 44.71 19OE1 25O17 25SG 67.03 19OE1 25O17 19CG 28.75 19OE1 25O17 162CD2 81.23 19CD 25O17 184CE2 88.60 19CD 25O17 162NE2 86.77 19CD 25O17 184CD1 58.23 19CD 25O17 25CB 57.61 19CD 25O17 25SG 76.46 19CD 25O17 19CG 12.28 184CZ2 25O17 184CE2 21.82 184CZ2 25O17 162NE2 54.71 184CZ2 25O17 162CG 66.69 184CZ2 25O17 184CD1 52.41 184CZ2 25O17 162CD2 54.17 184CZ2 25O17 184CH2 6.39 184CE2 25O17 162NE2 54.32 184CE2 25O17 162CG 76.31 184CE2 25O17 184CD1 30.61 184CE2 25O17 19CG 81.59 184CE2 25O17 162CD2 60.79 184CE2 25O17 184CH2 27.64 162NE2 25O17 162CG 29.72 162NE2 25O17 184CD1 61.67 162NE2 25O17 25CB 60.57 162NE2 25O17 25SG 71.37 162NE2 25O17 19CG 90.84 162NE2 25O17 162CD2 15.82 162NE2 25O17 184CH2 58.64 162CG 25O17 184CD1 90.78 162CC 25O17 25CB 61.39 162CG 25O17 25SG 59.43 162CG 25O17 162CD2 16.23 162CG 25O17 184CH2 67.39 184CD1 25O17 25CB 91.37 184CD1 25O17 19CG 51.04 184CD1 25O17 162CD2 74.86 184CD1 25O17 184CH2 58.22 25CB 25O17 25SG 23.19 25CB 25O17 19CG 69.56 25CB 25O17 162CD2 65.94 25SG 25O17 19CG 88.74 25SG 25O17 162CD2 70.29 162CD2 25O17 184CH2 56.25 19NE2 25N18 25SG 74.49 19NE2 25N18 162ND1 81.92 19NE2 25N18 23CA 57.55 19NE2 25N18 224OH2 93.53 19NE2 25N18 162CE1 67.31 19NE2 25N18 19CD 12.59 19NE2 25N18 25CB 55.64 19NE2 25N18 19OE1 26.71 25SG 25N18 162ND1 48.92 25SG 25N18 161O 67.41 25SG 25N18 23CA 74.24 25SG 25N18 224OH2 87.02 25SG 25N18 162CE1 53.82 25SG 25N18 19CD 69.72 25SG 25N18 25CB 21.75 25SG 25N18 19OE1 60.33 162ND1 25N18 161O 62.58 162ND1 25N18 162CE1 16.19 162ND1 25N18 19CD 69.87 162ND1 25N18 25CB 43.26 162ND1 25N18 19OE1 55.30 161O 25N18 224OH2 98.16 161O 25N18 162CE1 78.73 161O 25N18 25CB 84.03 23CA 25N18 224OH2 36.29 23CA 25N18 19CD 68.30 23CA 25N18 25CB 74.55 23CA 25N18 19OE1 77.72 224OH2 25N18 25CB 98.57 162CE1 25N18 19CD 54.91 162CE1 25N18 25CB 40.63 162CE1 25N18 19OE1 40.66 19CD 25N18 25CB 48.94 19CD 25N18 19OE1 14.63 25CB 25N18 19OE1 38.63 25SG 25N19 162ND1 68.67 25SG 25N19 161O 97.88 25SG 25N19 25CB 26.20 25SG 25N19 162CE1 69.25 25SG 25N19 162CA 69.30 25SG 25N19 162CG 76.89 25SG 25N19 19NE2 81.47 25SG 25N19 162CB 81.47 25SG 25N19 161C 91.20 25SG 25N19 23CA 80.48 25SG 25N19 162N 79.54 25SG 25N19 19OE1 67.38 25SG 25N19 224OH2 96.97 162ND1 25N19 161O 84.02 162ND1 25N19 25CB 55.97 162ND1 25N19 162CE1 17.34 162ND1 25N19 162CA 46.46 162ND1 25N19 162CG 15.15 162ND1 25N19 19NE2 86.65 162ND1 25N19 162CB 34.28 162ND1 25N19 161C 76.02 162ND1 25N19 162N 61.82 162ND1 25N19 19OE1 59.63 161O 25N19 162CA 41.35 161O 25N19 162CG 69.81 161O 25N19 162CB 49.97 161O 25N19 161C 8.90 161O 25N19 162N 24.76 25CB 25N19 162CE1 49.59 25CB 25N19 162CA 78.03 25CB 25N19 162CG 68.95 25CB 25N19 19NE2 60.40 25CB 25N19 162CB 81.67 25CB 25N19 23CA 80.10 25CB 25N19 162N 92.77 25CB 25N19 19OE1 41.65 162CE1 25N19 162CA 63.58 162CE1 25N19 162CG 31.41 162CE1 25N19 19NE2 69.42 162CE1 25N19 162CB 51.18 162CE1 25N19 161C 93.28 162CE1 25N19 162N 79.16 162CE1 25N19 19OE1 42.84 162CA 25N19 162CG 35.79 162CA 25N19 162CB 20.40 162CA 25N19 161C 32.47 162CA 25N19 162N 16.68 162CG 25N19 162CB 19.86 162CG 25N19 161C 62.27 162CG 25N19 162N 49.28 162CG 25N19 19OE1 74.24 19NE2 25N19 23CA 51.93 19NE2 25N19 19OE1 27.73 19NE2 25N19 224OH2 83.06 162CB 25N19 161C 42.44 162CB 25N19 162N 30.28 162CB 25N19 19OE1 93.88 161C 25N19 162N 15.85 23CA 25N19 19OE1 74.91 23CA 25N19 224OH2 33.48 19NE2 25N20 184NE1 66.71 19NE2 25N20 19CD 16.40 19NE2 25N20 20O 61.92 19NE2 25N20 184CE2 83.41 19NE2 25N20 184CZ2 92.74 19NE2 25N20 184CD1 65.86 19NE2 25N20 19OE1 25.29 19NE2 25N20 19CG 28.13 184NE1 25N20 19CD 51.81 184NE1 25N20 20O 92.93 184NE1 25N20 184CE2 17.64 184NE1 25N20 184CZ2 33.11 184NE1 25N20 184CD1 14.57 184NE1 25N20 19OE1 41.63 184NE1 25N20 19CG 54.80 19CD 25N20 20o 61.53 19CD 25N20 184CE2 69.14 19CD 25N20 184CZ2 80.93 19CD 25N20 184CD1 49.60 19CD 25N20 19OE1 13.44 19CD 25N20 19CG 17.37 20O 25N20 184CD1 79.82 20O 25N20 19OE1 74.00 20O 25N20 19CG 46.41 184CE2 25N20 184CZ2 17.72 184CE2 25N20 184CD1 27.30 184CE2 25N20 19OE1 58.12 184CE2 25N20 19CG 72.23 184CZ2 25N20 184CD1 44.82 184CZ2 25N20 19OE1 68.30 184CZ2 25N20 19CG 87.39 184CD1 25N20 19OE1 43.08 184CD1 25N20 19CG 47.27 19OE1 25N20 19CG 27.95 25SG 25C21 25CB 34.16 25SG 25C21 25N 59.13 25SG 25C21 162ND1 63.16 25SG 25C21 23O 95.53 25SG 25C21 25CA 41.14 25SG 25C21 161O 90.20 25SG 25C21 162CE1 64.32 25SG 25C21 24N 94.43 25SG 25C21 19OE1 78.34 25SG 25C21 162CA 58.84 25SG 25C21 19CD 91.01 25SG 25C21 26N 32.55 25SG 25C21 25C 28.93 25SG 25C21 24C 64.37 25SG 25C21 162CG 63.81 25SG 25C21 163N 30.18 25CB 25C21 25N 41.43 25CB 25C21 162ND1 57.90 25CB 25C21 23C 92.08 25CB 25C21 23O 94.39 25CB 25C21 25CA 20.31 25CB 25C21 19NE2 70.68 25CB 25C21 162CE1 48.50 25CB 25C21 24N 77.34 25CB 25C21 19OE1 44.80 25CB 25C21 162CA 77.90 25CB 25C21 19CD 56.86 25CB 25C21 26N 42.39 25CB 25C21 25C 26.69 25CB 25C21 24C 49.86 25CB 25C21 162CG 64.53 25CB 25C21 163N 55.35 25N 25C21 162ND1 98.16 25N 25C21 23CA 69.54 25N 25C21 23C 50.81 25N 25C21 23O 54.24 25N 25C21 25CA 21.67 25N 25C21 19NE2 62.10 25N 25C21 162CE1 85.44 25N 25C21 24N 37.13 25N 25C21 19OE1 55.93 25N 25C21 19CD 56.26 25N 25C21 26N 35.66 25N 25C21 25C 30.32 25N 25C21 24C 8.74 25N 25C21 163N 88.85 162ND1 25C21 25CA 78.14 162ND1 25C21 19NE2 84.09 162ND1 25C21 161O 65.36 162ND1 25C21 162CE1 16.67 162ND1 25C21 19OE1 59.98 162ND1 25C21 162CA 39.67 162ND1 25C21 19CD 72.99 162ND1 25C21 26N 92.87 162ND1 25C21 25C 80.82 162ND1 25C21 162CG 9.83 162ND1 25C21 163N 47.12 23CA 25C21 23C 22.59 23CA 25C21 23O 35.84 23CA 25C21 25CA 90.84 23CA 25C21 19NE2 61.29 23CA 25C21 224OH2 38.65 23CA 25C21 24N 32.44 23CA 25C21 19OE1 87.52 23CA 25C21 19CD 73.32 23CA 25C21 26N 93.91 23CA 25C21 25C 97.86 23CA 25C21 24C 62.65 23CA 25C21 23O 18.06 23C 25C21 25CA 72.44 23C 25C21 19NE2 67.14 23C 25C21 224OH2 52.52 23C 25C21 24N 16.23 23C 25C21 19OE1 85.86 23C 25C21 19CD 74.76 23C 25C21 26N 71.38 23C 25C21 25C 76.60 23C 25C21 24C 42.81 23O 25C21 25CA 74.11 23O 25C21 19NE2 84.69 23O 25C21 224OH2 51.69 23O 25C21 24N 29.95 23O 25C21 19CD 90.88 23O 25C21 26N 63.28 23O 25C21 25C 72.90 23O 25C21 24C 45.50 25CA 25C21 19NE2 68.27 25CA 25C21 162CE1 67.59 25CA 25C21 24N 58.61 25CA 25C21 19OE1 50.41 25CA 25C21 162CA 95.22 25CA 25C21 19CD 57.40 25CA 25C21 26N 30.73 25CA 25C21 25C 16.57 25CA 25C21 24C 29.77 25CA 25C21 162CG 84.82 25CA 25C21 163N 69.11 19NE2 25C21 162CE1 68.48 19NE2 25C21 224OH2 93.44 19NE2 25C21 24N 55.94 19NE2 25C21 19OE1 29.51 19NE2 25C21 19CD 14.63 19NE2 25C21 26N 96.37 19NE2 25C21 25C 84.76 19NE2 25C21 24C 64.60 19NE2 25C21 162CG 93.25 161O 25C21 162CE1 81.61 161O 25C21 162CA 35.10 161O 25C21 162CG 55.78 161O 25C21 163N 60.78 162CE1 25C21 19OE1 43.32 162CE1 25C21 162CA 55.76 162CE1 25C21 19CD 56.63 162CE1 25C21 26N 88.80 162CE1 25C21 25C 74.35 162CE1 25C21 24C 94.10 162CE1 25C21 162CG 26.49 162CE1 25C21 163N 57.15 224OH2 25C21 24N 67.70 224OH2 25C21 24C 94.80 24N 25C21 19OE1 70.64 24N 25C21 19CD 60.95 24N 25C21 26N 64.52 24N 25C21 25C 65.81 24N 25C21 24C 30.33 19OE1 25C21 162CA 98.48 19OE1 25C21 19CD 15.08 19OE1 25C21 26N 81.12 19OE1 25C21 25C 66.02 19OE1 25C21 24C 62.63 19OE1 25C21 162CG 69.79 19OE1 25C21 163N 90.46 162CA 25C21 26N 89.91 162CA 25C21 25C 87.29 162CA 25C21 162CG 30.51 162CA 25C21 163N 28.80 19CD 25C21 26N 87.36 19CD 25C21 25C 73.91 19CD 25C21 24C 60.95 19CD 25C21 162CG 82.63 26N 25C21 25C 15.95 26N 25C21 24C 37.06 26N 25C21 162CG 95.38 26N 25C21 163N 61.27 25C 25C21 24C 35.55 25C 25C21 162CG 85.16 25C 25C21 163N 58.98 24C 25C21 163N 94.51 162CG 25C21 163N 42.83 25SG 25O22 25CB 38.49 25SG 25O22 25N 68.14 25SG 25O22 25CA 51.61 25SG 25O22 23O 92.70 25SG 25O22 19OE1 92.24 25SG 25O22 162ND1 54.00 25SG 25O22 24C 76.75 25SG 25O22 162CE1 62.63 25SG 25O22 24CA 92.42 25SG 25O22 25C 41.17 25SG 25O22 26N 39.32 19NE2 25O22 25CB 90.81 19NE2 25O22 23CA 83.72 19NE2 25O22 25N 82.91 19NE2 25O22 23C 90.92 19NE2 25O22 25CA 85.84 19NE2 25O22 24N 75.03 19NE2 25O22 19CD 18.29 19NE2 25O22 19OE1 36.86 19NE2 25O22 22O 40.88 19NE2 25O22 162ND1 93.79 19NE2 25O22 24C 82.04 19NE2 25O22 23N 71.12 19NE2 25O22 162CE1 77.66 19NE2 25O22 24CA 80.86 19NE2 25O22 22C 54.65 19NE2 25O22 25C 99.55 25CB 25O22 25N 47.57 25CB 25O22 25CA 24.14 25CB 25O22 24N 93.92 25CB 25O22 19CD 72.69 25CB 25O22 19OE1 55.94 25CB 25O22 162ND1 53.00 25CB 25O22 24C 58.84 25CB 25O22 162CE1 47.93 25CB 25O22 24CA 78.52 25CB 25O22 25C 26.37 25CB 25O22 26N 39.92 23CA 25O22 25N 86.84 23CA 25O22 23C 27.45 23CA 25O22 24N 40.92 23CA 25O22 23O 40.51 23CA 25O22 19CD 98.21 23CA 25O22 22O 43.20 23CA 25O22 24C 75.56 23CA 25O22 23N 12.75 23CA 25O22 224OH2 38.92 23CA 25O22 24CA 55.88 23CA 25O22 22C 29.08 25N 25O22 23C 61.42 25N 25O22 25CA 23.44 25N 25O22 24N 46.54 25N 25O22 23O 61.31 25N 25O22 19CD 72.72 25N 25O22 19OE1 69.34 25N 25O22 22O 78.77 25N 25O22 24C 11.28 25N 25O22 23N 87.24 25N 25O22 162CE1 91.85 25N 25O22 24CA 30.96 25N 25O22 22C 83.18 25N 25O22 25C 27.52 25N 25O22 26N 31.88 23C 25O22 25CA 84.51 23C 25O22 24N 21.22 23C 25O22 23O 19.47 23C 25O22 19CD 98.72 23C 25O22 22O 52.92 23C 25O22 24C 50.34 23C 25O22 23N 34.26 23C 25O22 224OH2 55.48 23C 25O22 24CA 31.37 23C 25O22 22C 43.43 23C 25O22 25C 83.00 23C 25O22 26N 74.42 25CA 25O22 24N 69.81 25CA 25O22 23O 81.49 25CA 25O22 19CD 70.36 25CA 25O22 19OE1 59.53 25CA 25O22 22O 96.17 25CA 25O22 162ND1 76.96 25CA 25O22 24C 34.73 25CA 25O22 162CE1 69.68 25CA 25O22 24CA 54.41 25CA 25O22 25C 13.77 25CA 25922 26N 28.59 24N 25O22 23O 35.89 24N 25O22 19CD 79.36 24N 25O22 19OE1 90.36 24N 25O22 22O 44.09 24N 25O22 24C 35.42 24N 25O22 23N 40.92 24N 25b22 224OH2 75.53 24N 25O22 24CA 16.33 24N 25O22 22C 41.01 24N 25O22 25C 72.48 24N 25O22 26N 69.02 23O 25O22 22O 72.38 23O 25O22 24C 51.99 23O 25O22 23N 50.70 23O 25O22 224OH2 53.17 23O 25O22 24CA 37.85 23O 25O22 22C 62.29 23O 25O22 25C 75.63 23O 25O22 26N 63.41 19CD 25O22 19OE1 19.08 19CD 25O22 22O 55.19 19CD 25O22 162ND1 80.93 19CD 25O22 24C 75.07 19CD 25O22 23N 86.19 19CD 25O22 162CE1 63.77 19CD 25O22 24CA 80.05 19CD 25O22 22C 69.54 19CD 25O22 25C 84.09 19CD 25O22 26N 98.42 19OE1 25O22 22O 73.71 19OE1 25O22 162ND1 64.15 19OE1 25O22 24C 75.30 19OE1 25O22 162CE1 46.77 19OE1 25O22 24CA 86.24 19OE1 25O22 22C 88.09 19OE1 25O22 25C 72.43 19OE1 25O22 26N 87.99 22O 25O22 24C 70.73 22O 25O22 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25C24 61N 16.90 60C 25C24 60N 31.03 60C 25C24 70OD1 89.71 60C 25C24 61OD2 43.83 60C 25C24 60CG 49.02 60C 25C24 60CB 30.73 60C 25C24 67N 85.40 60C 25C24 66C 84.14 60C 25C24 65O 49.16 61N 25C24 60N 47.32 61N 25C24 61OD2 41.00 61N 25C24 60CG 54.47 61N 25C24 60CB 37.23 61N 25C24 67N 82.57 61N 25C24 66C 77.02 61N 25C24 65O 34.06 60N 25C24 70OD1 61.08 60N 25C24 61OD2 66.32 60N 25C24 60CG 40.42 60N 25C24 60CB 30.28 66N 25C24 67N 81.86 60N 25C24 66C 88.80 60N 25C24 65O 74.46 70OD1 25C24 60CG 53.02 70OD1 25C24 60CB 66.53 70OD1 25C24 67N 60.32 70OD1 25C24 66C 75.88 70OD1 25C24 67CG 57.76 61OD2 25C24 60CG 92.66 61OD2 25C24 60CB 74.33 61OD2 25C24 65O 64.27 60CG 25C24 60CB 18.33 60CG 25C24 67N 41.67 60CG 25C24 66C 48.95 60CG 25C24 65O 57.71 60CG 25C24 67CG 72.33 60CB 25C24 67N 56.95 60CB 25C24 66C 60.17 60CB 25C24 65O 49.72 60CB 25C24 67CG 90.00 67N 25C24 66C 15.58 67N 25C24 65O 62.20 67N 25C24 67CG 35.72 66C 25C24 65O 50.68 66C 25C24 67CG 42.81 65O 25C24 67CG 93.15 66CA 25C25 67CD2 74.47 66CA 25C25 67CE2 88.53 66CA 25C25 60ND2 59.31 66CA 25C25 66N 21.62 66CA 25C25 65O 44.29 66CA 25C25 66C 21.53 66CA 25C25 65C 36.30 66CA 25C25 60CA 74.60 66CA 25C25 61N 73.02 66CA 25C25 67N 33.98 66CA 25C25 60C 79.39 66CA 25C25 60CG 50.06 66CA 25C25 66O 28.68 66CA 25C25 60CB 56.47 66CA 25C25 61CB 88.35 66CA 25C25 67CG 69.03 66CA 25C25 67CZ 89.74 61OD1 25C25 66N 99.44 61OD1 25C25 65O 70.37 61OD1 25C25 65C 80.66 61OD1 25C25 60CA 81.54 61OD1 25C25 61CG 15.19 61OD1 25C25 61N 55.29 61OD1 25C25 59O 88.76 61OD1 25C25 60C 62.96 61OD1 25C25 60CB 93.30 61OD1 25C25 61CB 28.06 61OD1 25C25 61OD2 23.60 67CD2 25C25 67CE2 22.80 67CD2 25C25 60ND2 71.72 67CD2 25C25 66N 86.08 67CD2 25C25 66C 52.97 67CD2 25C25 59O 98.99 67CD2 25C25 67N 45.03 67CD2 25C25 60CG 81.76 67CD2 25C25 66O 50.77 67CD2 25C25 67CG 6.70 67CD2 25C25 67CZ 27.35 67C 2 25C25 60ND2 94.29 67CE2 25C25 66N 93.17 67CE2 25C25 66C 67.80 67CE2 25C25 67N 64.98 67CE2 25C25 66O 60.61 67CE2 25C25 67CG 29.23 67CE2 25C25 67CZ 4.94 60ND2 25C25 66N 80.00 60ND2 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25C25 67CG 38.59 67N 25C25 67CZ 68.17 60C 25C25 60CG 49.75 60C 25C25 60CB 31.34 60C 25C25 61CB 44.00 60C 25C25 61OD2 43.11 60CG 25C25 66O 68.70 60CG 25C25 60CB 18.86 60CG 25C25 61CB 88.11 60CG 25C25 67CG 75.30 60CG 25C25 61OD2 92.65 66O 25C25 60CB 81.00 66O 25C25 67CG 47.02 66O 25C25 67CZ 61.34 60CB 25C25 61CB 69.79 60CB 25C25 67CG 94.15 60CB 25C25 61OD2 74.45 61CB 25C25 61OD2 28.84 67CG 25C25 67CZ 33.62 61OD1 25C26 65O 71.36 61OD1 25C26 65C 85.76 61OD1 25C26 61CG 11.35 61OD1 25C26 61CB 26.51 61OD1 25C26 61N 48.33 61OD1 25C26 65CA 84.59 61OD1 25C26 61OD2 15.64 67CE2 25C26 66CA 78.50 67CE2 25C26 66N 89.75 67CE2 25C26 67CD2 19.87 67CE2 25C26 66C 60.32 67CE2 25C26 67CZ 10.65 67CE2 25C26 66O 56.85 66CA 25C26 66N 21.30 66CA 25C26 65O 40.66 66CA 25C26 65C 35.52 66CA 25C26 67CD2 62.19 66CA 25C26 61CG 97.24 66CA 25C26 66C 18.45 66CA 25C26 61CB 83.20 66CA 25C26 61N 61.53 66CA 25C26 67CZ 84.37 66CA 25C26 65CA 50.10 66CA 25C26 66O 28.03 66N 25C26 65O 32.82 66N 25C26 65C 19.16 66N 25C26 67CD2 77.48 66N 25C26 61CG 94.77 66N 25C26 66C 32.67 66N 25C26 61CB 77.42 66N 25C26 61N 65.23 66N 25C26 67CZ 92.40 66N 25C26 65CA 29.97 66N 25C26 66O 32.92 65O 25C26 65C 17.65 65O 25C26 61CG 61.95 65O 25C26 66C 58.76 65O 25C26 61CB 44.89 65O 25C26 61N 36.15 65O 25C26 65CA 29.75 65O 25C26 61OD2 69.17 65O 25C26 66O 64.19 65C 25C26 67CD2 96.05 65C 25C26 61CG 77.55 65C 25C26 66C 50.78 65C 25C26 61CB 59.53 65C 25C26 61N 53.71 65C 25C26 65CA 16.87 65C 25C26 61OD2 85.83 65C 25C26 66O 52.07 67CD2 25C26 66C 45.30 67CD2 25C26 67CZ 29.89 67CD2 25C26 66O 46.56 61CG 25C26 61CB 18.38 61CG 25C26 61N 36.98 61CG 25C26 65CA 79.04 61CG 25C26 61OD2 11.28 66C 25C26 61N 78.34 66C 25C26 67CZ 65.93 66C 25C26 65CA 62.43 66C 25C26 66O 14.16 61CB 25C26 61N 29.95 61CB 25C26 65CA 60.78 61CB 25C26 61OD2 28.51 61N 25C26 65CA 64.34 61N 25C26 61OD2 38.83 61N 25C26 66O 89.56 67CZ 25C26 66O 59.87 65CA 25C26 61OD2 89.18 65CA 25C26 66O 59.63 61OD1 25C27 61CG 5.16 61OD1 25C27 61OD2 15.09 67CE2 25C27 67CD2 15.74 67CE2 25C27 67OH 28.29 61CG 25C27 61OD2 12.69 67CD2 25C27 67OH 44.01 61OD1 25C28 61CG 9.27 61OD1 25C28 264OH2 52.17 61OD1 25C28 61OD2 23.20 67CE2 25C28 67CD2 15.49 61CG 25C28 264OH2 46.24 61CG 25C28 61OD2 14.74 264OH2 25C28 61OD2 33.06 66N 25C29 65C 24.86 66N 25C29 65O 39.60 66N 25C29 66CA 24.12 66N 25C29 65CA 41.74 66N 25C29 67CE2 94.22 66N 25C29 64O 81.94 66N 25C29 66C 34.73 66N 25C29 66O 37.60 66N 25C29 65N 53.80 66N 25C29 67CD2 79.01 66N 25C29 61CG 98.70 66N 25C29 64C 70.01 66N 25C29 61CB 84.65 65C 25C29 65O 20.60 65C 25C29 66CA 42.11 65C 25C29 65CA 24.93 65C 25C29 61OD1 91.42 65C 25C29 640 61.11 65C 25C29 66C 58.05 65C 25C29 66O 62.45 65C 25C29 65N 31.53 65C 25C29 61CG 79.83 65C 25C29 64C 47.67 65C 25C29 61CB 63.17 65O 25C29 66CA 46.14 65O 25C29 65CA 39.66 65O 25C29 61OD1 71.78 65O 25C29 64O 64.40 65O 25C29 66C 65.45 65O 25C29 66O 74.94 65O 25C29 65N 37.56 65O 25C29 61CG 60.19 65O 25C29 64C 50.20 65O 25C29 61CB 45.06 66CA 25C29 65CA 64.24 66CA 25C29 67CE2 75.91 66CA 25C29 66C 19.63 66CA 25C29 66O 32.86 66CA 25C29 65N 73.62 66CA 25C29 67CD2 59.00 66CA 25C29 61CG 93.56 66CA 25C29 64C 89.77 66CA 25C29 61CB 85.67 65CA 25C29 61OD1 97.52 65CA 25C29 64O 40.31 65CA 25C29 66C 76.17 65CA 25C29 660 74.54 65CA 25C29 65N 15.70 65CA 25C29 61CG 87.20 65CA 25C29 64C 29.78 65CA 25C29 61CB 68.64 61OD1 25C29 64O 78.88 61OD1 25C29 65N 83.10 61OD1 25C29 61CG 11.60 61OD1 25C29 64C 76.76 61OD1 25C29 61CB 29.29 67CE2 25C29 66C 59.68 67CE2 25C29 66O 59.54 67CE2 25C29 67CD2 17.43 64O 25C29 65N 29.62 64O 25C29 61CG 73.88 64O 25C29 64C 14.26 64O 25C29 61CB 59.65 66C 25C29 66O 16.37 66C 25C29 65N 88.46 66C 25C29 67CD2 44.33 66O 25C29 65N 89.10 66O 25C29 67CD2 48.06 65N 25C29 61CG 73.50 65N 25C29 64C 16.31 65N 25C29 61CB 55.08 61CG 25C29 64C 69.32 61CG 25C29 61CB 18.57 64C 25C29 61CB 52.55 66N 25O30 67CE2 95.44 66N 25O30 65C 20.14 66N 25O30 66O 41.64 66N 25O30 66CA 20.76 66N 25O30 65CA 36.46 66N 25O30 66C 35.12 66N 25O30 67CD2 78.01 66N 25O30 65O 28.77 66N 25O30 64O 70.26 67CE2 25O30 660 66.02 67CE2 25O30 66CA 75.33 67CE2 25O30 66C 62.32 67CE2 25O30 67CD2 17.44 67CE2 25O30 67CZ 17.35 67CE2 25O30 67OH 32.31 65C 25O30 66O 61.78 65C 25O30 66CA 35.78 65C 25O30 65CA 21.92 65C 25O30 66C 54.08 65C 25O30 67CD2 93.11 65C 25O30 65O 13.87 65C 25O30 64O 51.57 66O 25O30 66CA 34.58 66O 25O30 65CA 74.20 66O 25O30 66C 16.71 66O 25O30 67CD2 51.17 66O 25O30 67CZ 70.40 66O 25O30 67OH 86.34 66O 25O30 65O 68.48 66CA 25O30 65CA 55.92 66CA 25O30 66C 20.67 66CA 25O30 67CD2 58.02 66CA 25O30 67CZ 88.15 66CA 25O30 65O 36.77 66CA 25O30 64O 87.19 65CA 25O30 66C 71.35 65CA 25O30 65O 31.68 65CA 25O30 64O 35.13 66C 25O30 67CD2 45.28 66C 25O30 67CZ 71.68 66C 25O30 67OH 89.19 66C 25O30 65O 57.23 67CD2 25O30 67CZ 31.46 67CD2 25O30 67OH 48.52 67CD2 25O30 65O 89.19 67CZ 25O30 67OH 17.73 65O 25O30 64O 52.71 66N 25C31 65CA 39.43 66N 25C31 65C 19.88 66N 25C31 66O 41.44 66N 25C31 66CA 16.42 66N 25C31 64O 73.76 66N 25C31 66C 31.86 66N 25C31 65O 24.99 66N 25C31 67CE2 78.02 66N 25C31 65N 48.58 65CA 25C31 65C 22.92 65CA 25C31 66O 78.51 65CA 25C31 66CA 54.89 65CA 25C31 64O 37.80 65CA 25C31 66C 71.14 65CA 25C31 65O 28.31 65CA 25C31 65N 10.41 65C 25C31 66O 61.32 65C 25C31 66CA 33.07 65C 25C31 64O 54.01 65C 25C31 66C 51.04 65C 25C31 65O 9.78 65C 25C31 67CE2 90.50 65C 25C31 65N 30.23 66O 25C31 66CA 32.38 66O 25C31 66C 14.52 66O 25C31 65O 65.09 66O 25C31 67CE2 56.24 66O 25C31 65N 88.60 66CA 25C31 64O 86.14 66CA 25C31 66C 19.15 66CA 25C31 65O 33.97 66CA 25C31 67CE2 61.64 66CA 25C31 65N 63.22 64O 25C31 65O 52.33 64O 25C31 65N 27.39 66C 25C31 65O 53.03 66C 25C31 67CE2 52.59 66C 25C31 65N 80.44 65O 25C31 67CE2 85.62 65O 25C31 65N 32.85 65CA 25O32 64O 42.64 65CA 25O32 66N 34.36 65CA 25O32 65C 19.66 65CA 25O32 64C 30.83 65CA 25O32 65N 14.60 64O 25O32 66N 73.09 64O 25O32 65C 55.36 64O 25O32 64C 12.34 64O 25O32 65N 28.48 66N 25O32 65C 17.74 66N 25O32 64C 63.03 66N 25O32 65N 48.15 65C 25O32 64C 45.59 65C 25O32 65N 31.63 64C 25O32 65N 16.37 66O 25O33 66N 39.03 66O 25C33 65CA 71.47 66O 25C33 25SG 98.45 66O 25C33 65C 53.71 66O 25C33 66C 9.09 66N 25C33 65CA 32.53 66N 25C33 25SG 95.78 66N 25C33 65C 14.69 66N 25C33 66C 30.21 161O 25C33 161C 15.33 161O 25C33 25SG 60.66 65CA 25C33 25SG 88.64 65CA 25C33 65C 18.08 65CA 25C33 66C 62.73 161C 25C33 25SG 68.01 25SG 25C33 65C 94.64 65C 25C33 66C 44.83 66O 25C34 163CB 85.75 66O 25C34 66N 32.40 161C 25C34 161O 16.73 161C 25C34 162N 17.83 161C 25C34 163N 62.24 161C 25C34 162CA 31.39 161C 25C34 162C 47.88 161C 25C34 25SG 73.05 161C 25C34 161CA 18.94 161C 25C34 163CB 92.63 161O 25C34 162N 30.34 161O 25C34 163N 65.51 161O 25C34 162CA 35.76 161O 25C34 162C 54.67 161O 25C34 25SG 62.53 161O 25C34 161CA 30.82 161O 25C34 163CB 95.27 162N 25C34 163N 46.66 162N 25C34 162CA 18.35 162N 25C34 162C 31.03 162N 25C34 25SG 69.25 162N 25C34 161CA 31.09 162N 25C34 163CB 76.34 163N 25C34 162CA 31.03 163N 25C34 162C 16.65 163N 25C34 25SG 45.82 163N 25C34 161CA 77.75 163N 25C34 163CB 30.49 162CA 25C34 162C 19.01 162CA 25C34 25SG 52.46 162CA 25C34 161CA 48.32 162CA 25C3 163CB 61.52 162C 25C34 25SG 55.74 162C 25C34 161CA 61.81 162C 25C34 163CB 45.32 25SG 25C34 161CA 91.65 25SG 25C35 163CB 53.96 25SG 25C34 66N 87.39 66O 25C35 66C 2.57 66O 25C35 163CB 96.66 66O 25C35 26CB 46.90 66O 25C35 66N 29.09 66O 25C35 67CA 31.24 66O 25C35 68SD 77.53 66O 25C35 67CD1 62.23 66O 25C35 67CE1 72.23 66C 25C35 163CB 98.61 66C 25C35 26CB 49.23 66C 25C35 66N 30.32 66C 25C35 67CA 29.98 66C 25C35 68SD 78.11 66C 25C35 67CD1 59.82 66C 25C35 67CE1 69.68 163CB 25C35 26CB 51.66 163CB 25C35 67CA 90.92 163CB 25C35 209CD2 95.04 163CB 25C35 68SD 41.03 26CB 25C35 66N 52.74 26CB 25C35 67CA 56.99 26CB 25C35 68SD 53.93 26CB 25C35 67CD1 97.81 66N 25C35 67CA 60.27 66N 25C35 67CD1 84.58 66N 25C35 67CE1 89.12 67CA 25C35 209CD2 76.21 67CA 25C35 68SD 56.79 67CA 25C35 67CD1 40.85 67CA 25C35 67CE1 55.83 209CD2 25C35 68SD 66.55 209CD2 25C35 67CD1 48.98 209CD2 25C35 67CE1 49.09 68SD 25C35 67CD1 78.05 68SD 25C35 67CE1 92.43 67CD1 25C35 67CE1 16.13 66O 25C36 68SD 96.83 66O 25C36 26CB 52.43 66O 25C36 66C 6.57 66O 25C36 67CA 36.71 66O 25C36 26CX 70.05 68SD 25C36 163CB 57.33 68SD 25C36 163CA 70.03 68SD 25C36 134CB 84.74 68SD 25C36 163N 89.11 68SD 25C36 26CB 67.27 68SD 25C36 68CE 22.41 68SD 25C36 209CD2 84.13 68SD 25C36 66C 90.48 68SD 25C36 67CA 67.81 68SD 25C36 162C 99.30 68SD 25C36 26CX 59.77 163CB 25C36 163CA 20.06 163CB 25C36 134CB 81.47 163CB 25C36 163N 34.18 163CB 25C36 26CB 62.38 163CB 25C36 68CE 60.98 163CB 25C36 162C 48.31 163CB 25C36 26CX 44.78 163CA 25C36 134CB 65.51 163CA 25C36 163N 19.48 163CA 25C36 26CB 80.86 163CA 25C36 68CE 65.92 163CA 25C36 162C 30.24 163CA 25C36 26CX 63.59 134CB 25C36 163N 69.86 134CB 25C36 68CE 62.66 134CB 25C36 209CD2 53.95 134CB 25C36 162C 59.74 163N 25C36 26CB 84.29 163N 25C36 68CE 85.05 163N 25C36 162C 15.50 163N 25C36 26CX 69.23 26CB 25C36 68CE 88.83 26CB 25C36 66C 50.37 26CB 25C36 67CA 61.54 26CB 25C36 162C 98.98 26CB 25C36 26CX 17.62 68CE 25C36 209CD2 68.72 68CE 25C36 67CA 82.83 68CE 25C36 162C 90.28 68CE 25C36 26CX 78.81 209CD2 25C36 67CA 82.71 66C 25C36 67CA 30.72 66C 25C36 26CX 67.86 67CA 25C36 26CX 75.01 162C 25C36 26CX 84.54 66O 25C36 67CE1 76.69 66O 25C37 67CZ 72.75 66O 25C37 67CD1 64.04 66O 25C37 67OH 86.40 66O 25C37 67CE2 57.39 66O 25C37 67CG 48.64 67CE1 25C37 209CD2 60.17 67CE1 25C37 67CZ 18.76 67CE1 25C37 67CD1 18.19 67CE1 25C37 67OH 31.37 67CE1 25C37 67CE2 29.99 67CE1 25C37 67CG 29.19 209CD2 25C37 67CZ 78.42 209CD2 25C37 67CD1 57.12 209CD2 25C37 67OH 84.22 209CD2 25C37 67CE2 89.26 209CD2 25C37 134CB 51.72 209CD2 25C37 67CG 70.82 67CZ 25C37 67CD1 31.75 67CZ 25C37 67OH 17.50 67CZ 25C37 67CE2 16.32 67CZ 25C37 67CG 34.21 67CD1 25C37 67OH 47.81 67CD1 25C37 67CE2 34.53 67CD1 25C37 67CG 15.87 67OH 25C37 160O 98.96 67OH 25C37 67CE2 29.39 67OH 25C37 67CG 51.71 160O 25C37 134CB 78.01 67CE2 25C37 67CG 28.65 65CA 25C38 66N 37.26 65CA 25C38 66O 76.23 65CA 25C38 26CD1 57.25 65CA 25C38 65C 19.78 65CA 25C38 23O 54.21 65CA 25C38 224OH2 55.95 65CA 25C38 26CB 85.45 65CA 25C38 65N 11.58 65CA 25C38 26CG 68.24 25SG 25C38 26CD1 77.09 25SG 25C38 23O 67.47 25SG 25C38 161O 68.31 25SG 25C38 224OH2 89.14 25SG 25C38 26CB 70.06 25SG 25C38 26CG 76.35 66N 25C38 66O 39.10 66N 25C38 26CD1 47.09 66N 25C38 65C 17.53 66N 25C38 23O 72.97 66N 25C38 224OH2 92.76 66N 25C38 26CB 59.41 66N 25C38 65N 48.17 66N 25C38 26CG 48.12 66O 25C38 26CD1 61.41 66O 25C38 65C 56.61 66O 25C38 26CB 46.70 66O 25C38 65N 87.28 66O 25C38 26CG 50.49 26CD1 25C38 65C 48.65 26CD1 25C38 23O 40.99 26CD1 25C38 224OH2 85.80 26CD1 25C38 26CB 32.92 26CD1 25C38 65N 59.48 26CD1 25C38 26CG 15.33 65C 25C38 23O 62.21 65C 25C38 224OH2 75.31 65C 25C38 26CB 70.46 65C 25C38 65N 30.67 65C 25C38 26CG 55.38 23O 25C38 224OH2 47.84 23O 25C38 26CB 69.70 23O 25C38 65N 46.94 23O 25C38 26CG 55.26 161O 25C38 224OH2 93.60 224OH2 25C38 65N 44.65 26CB 25C38 65N 90.52 26CB 25C38 26CG 18.20 65N 25C38 26CG 72.50 66N 25C38 26CD1 65.73 66N 25O39 65CA 47.24 66N 25O39 65C 22.10 66N 25O39 66O 47.99 66N 25O39 23O 95.16 66N 25O39 26CG 65.86 66N 25O39 26CB 78.81 66N 25O39 26NE1 58.35 66N 25O39 66CA 14.64 66N 25O39 66C 34.63 66N 25O39 65N 57.39 66N 25O39 65O 22.72 66N 25O39 26CX 95.35 66N 25O39 26CD2 57.58 26CD1 25O39 65CA 77.50 26CD1 25O39 65C 65.28 26CD1 25O39 66O 80.81 26CD1 25O39 23O 52.52 26CD1 25O39 26CG 20.44 26CD1 25O39 26CB 42.80 26CD1 25O39 25SG 91.26 26CD1 25O39 26NE1 14.54 26CD1 25O39 66CA 62.36 26CD1 25O39 66C 69.41 26CD1 25O39 65N 74.38 26CD1 25O39 26N 49.70 26CD1 25O39 65O 61.20 26CD1 25O39 23C 59.40 26CD1 25O39 26CX 47.75 26CD1 25O39 224OH2 98.62 26CD1 25O39 26CD2 17.11 65CA 25O39 65C 25.89 65CA 25O39 66O 94.13 65CA 25O39 23O 66.29 65CA 25O39 26CG 92.00 65CA 25O39 26NE1 63.11 65CA 25O39 66CA 61.64 65CA 25O39 66C 81.81 65CA 25O39 65N 12.36 65CA 25O39 65O 27.30 65CA 25O39 23C 72.79 65CA 25O39 224OH2 56.03 65CA 25O39 26CD2 82.72 65C 25O39 66O 70.06 65C 25O39 23O 78.02 65C 25O39 26CG 73.56 65C 25O39 26CB 92.36 65C 25O39 26NE1 53.27 65C 25O39 66CA 36.02 65C 25O39 66C 56.60 65C 25O39 65N 35.32 65C 25O39 65O 4.12 65C 25O39 23C 86.65 65C 25O39 224OH2 81.45 65C 25O39 26CD2 64.11 66O 25O39 26CG 65.04 66O 25O39 26CB 58.06 66O 25O39 26NE1 84.63 66O 25O39 66CA 35.35 66O 25O39 66C 15.25 66O 25O39 26N 91.09 66O 25O39 65O 70.58 66O 25O39 26CX 73.00 66O 25O39 26CD2 63.97 23O 25O39 26CG 71.55 23O 25O39 26CB 88.75 23O 25O39 25SG 73.57 23O 25O39 26NE1 46.88 23O 25O39 65N 54.73 23O 25O39 26N 69.90 23O 25O39 65O 75.20 23O 25O39 23C 9.35 23O 25O39 26CX 82.73 23O 25O39 224OH2 48.87 23O 25O39 26CD2 69.59 26CG 25O39 26CB 23.44 26CG 25O39 25SG 90.54 26CG 25O39 26NE1 33.09 26CG 25O39 66CA 57.23 26CG 25O39 66C 56.85 26CG 25O39 65N 91.62 26CG 25O39 26N 42.86 26CG 25O39 65O 69.92 26CG 25O39 23C 77.26 26CG 25O39 26CX 33.37 26CG 25O39 26CD2 9.50 26CG 25O39 25SG 80.06 26CB 25O39 26NE1 56.36 26CB 25O39 66CA 66.31 26CB 25O39 66C 56.61 26CB 25O39 26N 34.26 26CB 25O39 65O 89.29 26CB 25O39 23C 92.00 26CB 25O39 26CX 17.14 26CB 25O39 26CD2 31.88 25SG 25O39 26N 48.14 25SG 25O39 23C 65.56 25SG 25O39 26CX 62.98 25SG 25O39 224OH2 85.27 25SG 25O39 26CD2 98.66 25SG 25O39 66CA 58.87 26NE1 25O39 66C 71.02 26NE1 25O39 65N 59.89 26NE1 25O39 26N 63.22 26NE1 25O39 65O 49.16 26NE1 25O39 23C 55.32 26NE1 25O39 26CX 62.29 26NE1 25O39 224OH2 88.14 26NE1 25O39 26CD2 26.49 66CA 25O39 66C 20.82 66CA 25O39 65N 71.23 66CA 25O39 26N 98.43 66CA 25O39 65O 35.79 66CA 25O39 26CX 83.32 66CA 25O39 26CD2 50.40 66C 25O39 65N 91.92 66C 25O39 26N 90.87 66C 25O39 65O 56.59 66C 25O39 26CX 73.34 66C 25O39 26CD2 53.53 66C 25O39 65O 35.54 65N 25O39 23C 60.74 65N 25O39 224OH2 46.37 65N 25O39 26CD2 82.99 65N 25O39 23C 68.72 26N 25O39 26CX 18.10 26N 25O39 26CD2 51.68 65O 25O39 23C 84.01 65O 25O39 224OH2 81.91 65O 25O39 26CD2 60.44 65O 25O39 26CX 83.51 23C 25O39 224OH2 45.98 23C 25O39 26CD2 76.48 26CX 25O39 26CD2 42.86 25SG 25N40 1612O 86.06 25SG 25N40 23O 74.10 25SG 25N40 161C 85.73 25SG 25N40 23C 68.83 25SG 25N40 23CA 76.96 25SG 25N40 162CA 56.65 25SG 25N40 25CB 6.53 25SG 25N40 26CD1 72.41 161O 25N40 161C 12.75 161O 25N40 162CA 33.97 161O 25N40 25CB 90.20 224OH2 25N40 23O 52.97 224OH2 25N40 65CA 57.51 224OH2 25N40 23C 49.02 224OH2 25N40 23CA 35.43 224OH2 25N40 26CD1 85.10 23O 25N40 65CA 51.31 23O 25N40 23C 13.96 23O 25N40 23CA 29.87 23O 25N40 25CB 68.50 23O 25N40 26CD1 37.36 65CA 25N40 23C 62.89 65CA 25N40 23CA 68.80 65CA 25N40 26CD1 48.33 161C 25N40 162CA 29.53 161C 25N40 25CB 90.88 23C 25N40 23CA 18.22 23C 25N40 25CB 62.59 23C 25N40 26CD1 49.62 23CA 25N40 25CB 70.43 23CA 25N40 26CD1 67.09 162CA 25N40 25CB 62.21 25CB 25N40 26CD1 70.23 25SG 25N41 23C 99.66 25SG 25N41 25CB 18.83 25SG 25N41 25N 49.91 25SG 25N41 24N 86.40 25SG 25N41 161O 75.97 25SG 25N41 26CD1 82.58 25SG 25N41 25CA 32.30 25SG 25N41 26N 41.60 23O 25N41 224OH2 68.49 23O 25N41 23C 20.89 23O 25N41 23CA 42.41 23O 25N41 25CB 89.72 23O 25N41 25N 55.16 23O 25N41 24N 28.91 23O 25N41 65CA 55.11 23O 25N41 26CD1 40.72 23O 25N41 25CA 71.69 23O 25N41 26N 66.61 23O 25N41 23N 44.84 224OH2 25N41 23 65.79 224OH2 25N41 23CA 48.09 224OH2 25N41 24N 78.14 224OH2 25N41 65CA 60.11 224OH2 25N41 26CD1 98.71 224OH2 25N41 23N 46.92 23C 25N41 23CA 25.44 23C 25N41 25CB 82.83 23C 25N41 25N 49.85 23C 25N41 24N 13.60 23C 25N41 65CA 73.03 23C 25N41 26CD1 59.09 23C 25N41 25CA 67.43 23C 25N41 26N 73.57 23C 25N41 23N 27.92 23CA 25N41 25CB 95.07 23CA 25N41 25N 68.21 23CA 25N41 24N 33.15 23CA 25N41 65CA 80.89 23CA 25N41 26CD1 83.00 23CA 25N41 25CA 84.37 23CA 25N41 26N 97.47 23CA 25N41 23N 2.51 25CB 25N41 25N 34.64 25CB 25N41 24N 69.27 25CB 25N41 161O 90.28 25CB 25N41 26CD1 80.97 25CB 25N41 25CA 18.50 25CB 25N41 26N 41.33 25CB 25N41 23N 95.93 25CB 25N41 24N 36.95 25N 25N41 26CD1 57.65 25N 25N41 25CA 17.61 25N 25N41 26N 34.79 25N 25N41 23N 69.91 24N 25N41 65CA 83.83 24N 25N41 26CD1 59.64 24N 25N41 25CA 54.36 24N 25N41 26N 64.38 24N 25N41 23N 35.31 24N 25N41 26CD1 50.18 65CA 25N41 26N 90.57 65CA 25N41 23N 82.10 26CD1 25N41 25CA 64.68 26CD1 25N41 26N 41.23 26CD1 25N41 23N 85.46 26CD1 25N41 26N 29.42 25CA 25N41 23N 85.82 25CA 25N41 23N 99.68 66O 25N42 66N 49.20 66O 25N42 65CA 85.32 66O 25N42 66C 14.31 66O 25N42 65C 66.36 66O 25N42 66CA 34.57 66O 25N42 67CE2 59.50 66N 25N42 65CA 37.29 66N 25N42 66C 37.91 66N 25N42 65C 17.17 66N 25N42 66CA 18.36 66N 25N42 67CE2 79.25 66N 25N42 66C 75.14 65CA 25N42 65C 21.61 65CA 25N42 66CA 55.24 66C 25N42 65C 54.69 66C 25N42 66CA 21.22 66C 25N42 67CE2 55.45 66C 25N42 66CA 34.04 65C 25N42 67CE2 88.07 65C 25N42 67CE2 63.12

TABLE XIV Table of angles between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor (1S)-N-[2-[(1-benzyloxycarbonylamino)- 3-methylbutyl]thiazol-4-ylcarbonyl]-N′-(N-benzyloxycarbonyl-L-leucinyl)hydrazide. Atom 1 Atom 2 Atom 3 Angle Atom 1 Atom 2 Atom 3 Angle 184CB 25C1 184CG 19.63 184CB 25C1 184O 37.95 184CB 25C1 184CD2 33.99 184CB 25C1 184CE3 43.05 184CB 25C1 188CD1 60.59 184CG 25C1 184O 56.47 184CG 25C1 184CD2 18.11 184CG 25C1 184CE3 33.19 184CG 25C1 188CD1 68.63 184O 25C1 184CD2 71.92 184O 25C1 184CE3 78.39 184O 25C1 188CD1 69.15 184CD2 25C1 184CE3 17.41 184CD2 25C1 188CD1 62.78 184CE3 25C1 188CD1 48.96 184O 25C2 184CB 47.37 184O 25C2 184C 14.60 184O 25C2 184CG 67.03 184O 25C2 184CA 35.09 184O 25C2 184CD2 79.86 184O 25C2 184CD1 72.22 184O 25C2 18ND2 51.81 184CB 25C2 184C 37.41 184CB 25C2 184CG 20.57 184CB 25C2 184CA 21.23 184CB 25C2 184CD2 32.66 184CB 25C2 184CD1 31.54 184CB 25C2 18ND2 83.90 184C 25C2 184CG 55.27 184C 25C2 184CA 21.27 184C 25C2 184CD2 69.82 184C 25C2 184CD1 58.47 184C 25C2 18ND2 51.06 184CG 25C2 184CA 35.04 184CG 25C2 184CD2 16.66 184CG 25C2 184CD1 15.49 184CG 25C2 18ND2 93.96 184CA 25C2 184CD2 50.81 184CA 25C2 184CD1 37.24 184CA 25C2 18ND2 62.72 184CD2 25C2 184CD1 26.96 184CD1 25C2 18ND2 86.49 184O 25C3 184CB 45.92 184O 25C3 184CA 37.85 184O 25C3 184C 17.54 184O 25C3 18OD1 72.66 184O 25C3 184CG 67.51 184O 25C3 184CD1 78.54 184O 25C3 18ND2 59.83 184O 25C3 18CG 62.25 184O 25C3 184CD2 77.25 184CB 25C3 184CA 23.15 184CB 25C3 184C 38.05 184CB 25C3 18OD1 86.49 184CB 25C3 184CG 21.78 184CB 25C3 184CD1 36.65 184CB 25C3 18ND2 94.41 184CB 25C3 18CG 86.35 184CB 25C3 184CD2 32.23 184CA 25C3 184C 22.46 184CA 25C3 18OD1 63.82 184CA 25C3 184CG 37.27 184CA 25C3 184CD1 42.13 184CA 25C3 18ND2 72.53 184CA 25C3 18CG 63.26 184CA 25C3 184CD2 51.60 184C 25C3 18OD1 61.36 184C 25C3 184CG 57.47 184C 25C3 184CD1 64.57 184C 25C3 18ND2 57.87 184C 25C3 18CG 54.50 184C 25C3 184CD2 70.12 18OD1 25C3 184CG 91.25 18OD1 25C3 184CD1 79.96 18OD1 25C3 18ND2 31.05 18OD1 25C3 18CG 15.09 184CG 25C3 184CD1 18.78 184CG 25C3 18CG 96.39 184CG 25C3 184CD2 15.20 184CD1 25C3 18CG 88.85 184CD1 25C3 184CD2 27.59 18ND2 25C3 18CG 16.95 184CD1 25C4 184CG 19.46 184CD1 25C4 184CB 35.62 184CD1 25C4 18OD1 77.64 184CD1 25C4 20O 86.16 184CD1 25C4 184CA 39.47 184CD1 25C4 184NE1 16.76 184CD1 25C4 184CD2 28.36 184CD1 25C4 184O 68.14 184CD1 25C4 184CE2 25.97 184CG 25C4 184CB 20.21 184CG 25C4 18OD1 84.29 184CG 25C4 184CA 33.31 184CG 25C4 184NE1 29.37 184CG 25C4 184CD2 16.86 184CG 25C4 184O 56.12 184CG 25C4 184CE2 26.96 184CB 25C4 18OD1 74.62 184CB 25C4 184CA 19.60 184CB 25C4 184NE1 48.98 184CB 25C4 184CD2 33.22 184CB 25C4 184O 36.02 184CB 25C4 184CE2 46.70 18OD1 25C4 20O 64.59 18OD1 25C4 184CA 55.04 18OD1 25C4 184NE1 91.09 18OD1 25C4 184O 58.00 20O 25C4 184NE1 82.83 20O 25C4 184CE2 96.86 184CA 25C4 184NE1 55.98 184CA 25C4 184CD2 49.56 184CA 25C4 184O 30.00 184CA 25C4 184CE2 59.49 184NE1 25C4 184CD2 27.93 184NE1 25C4 184O 83.70 184NE1 25C4 184CE2 15.77 184CD2 25C4 184O 68.31 184CD2 25C4 184CE2 16.44 184O 25C4 184CE2 82.69 184CG 25C5 184CD1 18.11 184CG 25C5 184CD2 18.49 184CG 25C5 184NE1 28.96 184CG 25C5 184CE2 29.05 184CG 25C5 184CB 17.96 184CD1 25C5 184CD2 29.17 184CD1 25C5 184NE1 17.37 184CD1 25C5 184CE2 28.25 184CD1 25C5 184CB 32.12 184CD2 25C5 184NE1 28.48 184CD2 25C5 184CE2 17.52 184CD2 25C5 184CB 32.46 184NE1 25C5 184CE2 16.92 184NE1 25C5 184CB 46.34 184CE2 25C5 184CB 46.48 184CD2 25C6 184CG 18.41 184CD2 25C6 184CE3 17.57 184CD2 25C6 184CB 32.70 184CD2 25C6 184CE2 16.35 184CD2 25C6 184CD1 26.98 184CG 25C6 184CE3 33.10 184CG 25C6 184CB 18.26 184CG 25C6 184CE2 27.66 184CG 25C6 184CD1 15.78 184CE3 25C6 184CB 40.99 184CE3 25C6 143OE1 88.61 184CE3 25C6 184CE2 29.17 184CE3 25C6 184CD1 44.38 184CB 25C6 184CE2 45.38 184CB 25C6 184CD1 30.55 184CE2 25C6 184CD1 26.20 20O 25C7 20C 19.21 20O 25C7 20CA 39.07 20O 25C7 20N 45.05 20O 25C7 18OD1 87.05 20O 25C7 19CG 55.64 20O 25C7 21NE2 74.51 20O 25C7 21N 24.68 20O 25C7 18CG 94.59 20O 25C7 19C 40.56 20C 25C7 20CA 23.55 20C 25C7 20N 38.22 20C 25C7 18OD1 77.28 20C 25C7 19CG 67.04 20C 25C7 21NE2 71.32 20C 25C7 21N 11.95 20C 25C7 18CG 83.17 20C 25C7 19C 38.66 20CA 25C7 20N 21.87 20CA 25C7 18OD1 54.50 20CA 25C7 19CG 66.31 20CA 25C7 21NE2 87.33 20CA 25C7 21N 31.76 20CA 25C7 18CG 59.80 20CA 25C7 19C 28.41 20N 25C7 18OD1 42.02 20N 25C7 184CD1 96.35 20N 25C7 19CG 47.93 20N 25C7 21N 49.41 20N 25C7 18CG 49.82 20N 25C7 19C 10.08 20N 25C7 184CA 86.28 18OD1 25C7 184CD1 83.02 18OD1 25C7 19CG 66.42 18OD1 25C7 21N 86.24 18OD1 25C7 184NE1 98.06 18OD1 25C7 184CG 83.82 18OD1 25C7 18CG 8.98 18OD1 25C7 19C 48.05 18OD1 25C7 184CA 54.56 184CD1 25C7 19CG 55.25 184CD1 25C7 184NE1 16.81 184CD1 25C7 184CG 16.56 184CD1 25C7 18CG 85.33 184CD1 25C7 19C 89.88 184CD1 25C7 184CA 36.29 19CG 25C7 21N 77.73 19CG 25C7 184NE1 56.16 19CG 25C7 184CG 70.76 19CG 25C7 18CG 74.86 19CG 25C7 19C 38.66 19CG 25C7 184CA 68.46 21NE2 25C7 21N 59.46 21N 25C7 18CG 91.06 21N 25C7 19C 50.55 184NE1 25C7 184CG 28.00 184NE1 25C7 19C 94.36 184NE1 25C7 184CA 52.97 184CG 25C7 18CG 83.54 184CG 25C7 184CA 30.15 18CG 25C7 19C 56.53 18CG 25C7 184CA 53.47 19C 25C7 184CA 85.50 20O 25O8 19CG 74.18 20O 25O8 20C 14.24 20O 25O8 20N 45.16 20O 25O8 19CD 84.08 20O 25O8 20CA 33.67 20O 25O8 18OD1 81.17 20O 25O8 19C 43.87 20O 25O8 21N 14.62 20O 25O8 19CB 65.10 20O 25O8 19NE2 73.97 19CG 25O8 184CD1 71.14 19CG 25O8 20C 79.40 19CG 25O8 184NE1 74.25 19CG 25O8 20N 55.59 19CG 25O8 19CD 22.00 19CG 25O8 20CA 73.82 19CG 25O8 19OE1 34.44 19CG 25O8 184CG 85.17 19CG 25O8 18OD1 70.42 19CG 25O8 184CE2 88.06 19CG 25O8 19C 42.61 19CG 25O8 21N 87.25 19CG 25O8 19CB 11.43 19CG 25O8 19NE2 28.77 19CG 25O8 183O 42.56 19CG 25O8 184CD2 93.05 184CD1 25O8 184NE1 21.99 184CD1 25O8 19CD 64.82 184CD1 25O8 19OE1 49.70 184CD1 25O8 184CG 15.65 184CD1 25O8 18OD1 83.93 184CD1 25O8 184CE2 27.56 184CD1 25O8 19CB 80.03 184CD1 25O8 19NE2 77.46 184CD1 25O8 183O 43.29 184CD1 25O8 184CD2 22.85 20C 25O8 20N 37.96 20C 25O8 19CD 93.27 20C 25O8 20CA 21.59 20C 25O8 18OD1 70.08 20C 25O8 19C 41.74 20C 25O8 21N 10.44 20C 25O8 19CB 68.90 20C 25O8 19NE2 85.00 184NE1 25O8 19CD 59.98 184NE1 25O8 19OE1 43.21 184NE1 25O8 184CG 31.35 184NE1 25O8 184CE2 13.82 184NE1 25O8 19CB 85.19 184NE1 25O8 19NE2 69.30 184NE1 25O8 183O 60.22 184NE1 25O8 184CD2 24.73 20N 25O8 19CD 76.55 20N 25O8 20CA 20.72 20N 25O8 19OE1 89.93 20N 25O8 18OD1 38.33 20N 25O8 19C 14.64 20N 25O8 21N 48.38 20N 25O8 19CB 44.35 20N 25O8 19NE2 76.55 20N 25O8 183O 65.49 19CD 25O8 20CA 92.98 19CD 25O8 19OE1 16.77 19CD 25O8 184CG 80.43 19CD 25O8 18OD1 91.12 19CD 25O8 184CE2 73.34 19CD 25O8 19C 62.65 19CD 25O8 21N 98.59 19CD 25O8 19CB 32.44 19CD 25O8 19NE2 14.03 19CD 25O8 183O 53.18 19CD 25O8 184CD2 82.97 20CA 25O8 18OD1 48.49 20CA 25O8 19C 31.25 20CA 25O8 21N 31.00 20CA 25O8 19CB 62.39 20CA 25O8 19NE2 89.43 20CA 25O8 183O 85.40 19OE1 25O8 184CG 65.32 19OE1 25O8 18OD1 95.73 19OE1 25O8 184CE2 56.63 19OE1 25O8 19C 77.00 19OE1 25O8 19CB 45.84 19OE1 25O8 19NE2 27.83 19OE1 25O8 183O 50.05 19OE1 25O8 184CD2 66.42 184CG 25O8 18OD1 81.85 184CG 25O8 184CE2 29.41 184CG 25O8 19CB 92.98 184CG 25O8 19NE2 93.11 184CG 25O8 183O 51.14 184CG 25O8 184CD2 15.78 18OD1 25O8 19C 48.36 18OD1 25O8 21N 79.10 18OD1 25O8 19CB 63.32 18OD1 25O8 19NE2 98.90 18OD1 25O8 183O 49.03 18OD1 25O8 184CD2 97.37 184CE2 25O8 19CB 98.94 184CE2 25O8 19NE2 81.67 184CE2 25O8 183O 70.16 184CE2 25O8 184CD2 16.41 19C 25O8 21N 51.75 19C 25O8 19CB 31.18 19C 25O8 19NE2 61.93 19C 25O8 183O 62.03 21N 25O8 19CB 77.34 21N 25O8 19NE2 88.58 19CB 25O8 19NE2 35.99 19CB 25O8 183O 45.66 19NE2 25O8 183O 66.29 19NE2 25O8 184CD2 93.54 183O 25O8 184CD2 64.88 20O 25C9 19CG 60.67 20O 25C9 19CD 76.38 20O 25C9 19OE1 92.50 20O 25C9 20C 7.58 20O 25C9 19NE2 72.45 20O 25C9 21NE2 67.37 184NE1 25C9 184CD1 20.97 184NE1 25C9 19CG 68.64 184NE1 25C9 19CD 59.83 184NE1 25C9 19OE1 43.65 184NE1 25C9 184CE2 16.49 184NE1 25C9 19NE2 71.84 184NE1 25C9 184CG 26.81 184NE1 25C9 184CZ2 28.68 184CD1 25C9 19CG 60.92 184CD1 25C9 19CD 60.57 184CD1 25C9 19OE1 48.05 184CD1 25C9 184CE2 31.05 184CD1 25C9 19NE2 75.62 184CD1 25C9 184CG 13.88 184CD1 25C9 184CZ2 46.32 19CG 25C9 19CD 21.52 19CG 25C9 19OE1 33.58 19CG 25C9 20C 65.19 19CG 25C9 184CE2 85.10 19CG 25C9 19NE2 31.33 19CG 25C9 184CG 73.53 19CG 25C9 184CZ2 95.37 19CD 25C9 19OE1 16.79 19CD 25C9 20C 82.31 19CD 25C9 184CE2 75.59 19CD 25C9 19NE2 15.81 19CD 25C9 184CG 74.44 19CD 25C9 184CZ2 81.71 19OE1 25C9 20C 97.96 19OE1 25C9 184CE2 59.01 19OE1 25C9 19NE2 28.56 19OE1 25C9 184CG 61.65 19OE1 25C9 184CZ2 65.02 20C 25C9 19NE2 79.44 20C 25C9 21NE2 62.11 184CE2 25C9 19NE2 86.32 184CE2 25C9 184CG 28.77 184CE2 25C9 184CZ2 15.52 19NE2 25C9 184CG 89.47 19NE2 25C9 184CZ2 89.08 184CG 25C9 184CZ2 43.90 184NE1 25O10 184CE2 19.56 184NE1 25O10 184CD1 19.15 184NE1 25O10 20O 98.89 184NE1 25O10 184CZ2 34.13 184NE1 25O10 184CD2 27.67 184NE1 25O10 184CG 27.32 184CE2 25O10 184CD1 31.59 184CE2 25O10 184CZ2 18.04 184CE2 25O10 184CD2 16.51 184CE2 25O10 184CG 28.75 184CD1 25O10 20O 88.35 184CD1 25O10 184CZ2 49.32 184CD1 25O10 184CD2 28.37 184CD1 25O10 184CG 15.83 20O 25O10 184CG 99.14 20O 25O10 21NE2 63.32 184CZ2 25O10 184CD2 30.98 184CZ2 25O10 184CG 46.20 184CD2 25O10 184CG 17.35 19NE2 25C11 22O 38.20 19NE2 25C11 19CD 17.94 19NE2 25C11 20O 68.83 19NE2 25C11 19OE1 29.76 19NE2 25C11 184NE1 67.70 19NE2 25C11 22C 51.21 19NE2 25C11 23CA 50.68 19NE2 25C11 19CG 29.78 19NE2 25C11 22N 68.31 19NE2 25C11 23N 56.54 22O 25C11 19CD 51.52 22O 25C11 20O 54.51 22O 25C11 19OE1 66.66 22O 25C11 22C 14.40 22O 25C11 23CA 34.19 22O 25C11 19CG 50.00 22O 25C11 22N 32.97 22O 25C11 23N 26.65 19CD 25C11 20O 64.43 19CD 25C11 19OE1 15.96 19CD 25C11 184NE1 51.25 19CD 25C11 22C 65.67 19CD 25C11 23CA 68.61 19CD 25C11 19CG 17.66 19CD 25C11 22N 76.34 19CD 25C11 23N 73.36 20O 25C11 19OE1 76.37 20O 25C11 184NE1 85.38 20O 25C11 22C 60.00 20O 25C11 23CA 87.97 20O 25C11 19CG 47.41 20O 25C11 22N 38.68 20O 25C11 23N 75.19 19OE1 25C11 184NE1 38.17 19OE1 25C11 22C 80.44 19OE1 25C11 23CA 78.31 19OE1 25C11 19CG 29.35 19OE1 25C11 22N 92.26 19OE1 25C11 23N 86.19 184NE1 25C11 19CG 53.83 22C 25C11 23CA 29.04 22C 25C11 19CG 64.17 22C 25C11 22N 28.19 22C 25C11 23N 15.42 23CA 25C11 19CG 76.14 23CA 25C11 22N 56.58 23CA 25C11 23N 16.87 19CG 25C11 22N 66.36 19CG 25C11 23N 75.77 22N 2SC11 23N 40.54 22O 25C12 22C 17.89 22O 25C12 22N 39.45 22O 25C12 23N 32.43 22O 25C12 23CA 38.69 22O 25C12 20O 56.27 22O 25C12 21C 55.84 22O 25C12 22CA 31.37 22O 25C12 21CA 67.07 22O 25C12 19NE2 35.21 22C 25C12 22N 34.05 22C 25C12 23N 18.76 22C 25C12 23CA 33.51 22C 25C12 20O 65.66 22C 25C12 21C 49.03 22C 25C12 22CA 18.77 22C 25C12 21CA 64.80 22C 25C12 19NE2 51.68 22N 25C12 23N 49.61 22N 25C12 23CA 67.28 22N 25C12 20O 43.43 22N 25C12 21C 16.39 22N 25C12 22CA 18.17 22N 25C12 21OE1 71.11 22N 25C12 21CA 30.79 22N 25C12 19NE2 70.87 23N 25C12 23CA 19.64 23N 25C12 20C 84.42 23N 25C12 21C 62.12 23N 25C12 22CA 31.69 23N 25C12 21CA 79.89 23N 25C12 19NE2 58.72 23CA 25C12 20O 94.95 23CA 25C12 21C 81.09 23CA 25C12 22CA 50.18 23CA 25C12 21CA 98.06 23CA 25C12 19NE2 50.86 20O 25C12 21C 45.48 20O 25C12 22CA 58.80 20O 25C12 21OE1 66.04 20O 25C12 21CA 35.16 20O 25C12 19NE2 63.11 21C 25C12 22CA 30.96 21C 25C12 21OE1 55.27 21C 25C12 21CA 18.83 21C 25C12 19NE2 86.29 22CA 25C12 21OE1 85.66 22CA 25C12 21CA 48.22 22CA 25C12 19NE2 66.48 21OE1 25C12 21CA 42.41 21CA 25C12 19NE2 90.68 21OE1 25C13 21CD 12.45 21OE1 25C13 21CA 47.08 21OE1 25C13 22N 76.49 21OE1 25C13 21C 61.27 21OE1 25C13 20O 69.05 21OE1 25C13 21NE2 23.98 21CD 25C13 21CA 41.21 21CD 25C13 22N 71.61 21CD 25C13 21C 58.15 21CD 25C13 20O 57.98 21CD 25C13 21NE2 14.96 21CA 25C13 22N 30.42 21CA 25C13 21C 18.99 21CA 25C13 20O 33.62 21CA 25C13 21NE2 51.09 22N 25C13 21C 16.45 22N 25C13 20O 38.35 22N 25C13 21NE2 80.82 21C 25C13 20O 42.37 21C 25C13 21NE2 69.53 20O 25C13 21NE2 58.27 21OE1 25C14 21C 80.26 21OE1 25C14 21CA 58.86 21OE1 25C14 22N 95.27 21OE1 25C14 21CD 11.97 21OE1 25C14 21O 83.12 21OE1 25C14 21CB 43.94 21OE1 25C14 21CG 26.08 21OE1 25C14 21NE2 17.70 21OE1 25C14 20O 71.89 21C 25C14 21CA 23.60 21C 25C14 22N 19.79 21C 25C14 21CD 70.89 21C 25C14 21O 18.03 21C 25C14 21CB 37.30 21C 25C14 22CA 32.39 21C 25C14 21CG 54.18 21C 25C14 22C 48.65 21C 25C14 21NE2 78.83 21C 25C14 23N 61.74 21C 25C14 20O 44.43 21CA 25C14 22N 36.47 21CA 25C14 21CD 48.38 21CA 25C14 21O 36.17 21CA 25C14 21CB 21.86 21CA 25C14 22CA 53.26 21CA 25C14 21CG 33.45 21CA 25C14 22C 65.81 21CA 25C14 21NE2 55.36 21CA 25C14 23N 80.87 21CA 25C14 20O 33.68 22N 25C14 21CD 84.38 22N 25C14 21O 33.19 22N 25C14 21CB 55.22 22N 25C14 22CA 17.77 22N 25C14 21CG 69.86 22N 25C14 22C 29.90 22N 25C14 21NE2 89.31 22N 25C14 23N 44.46 22N 25C14 20O 39.38 21CD 25C14 21O 76.50 21CD 25C14 21CB 36.73 21CD 25C14 21CG 18.01 21CD 25C14 21NE2 12.68 21CD 25C14 20O 60.03 21O 25C14 21CB 39.79 21O 25C14 22CA 37.66 21O 25C14 21CG 58.51 21O 25C14 22C 56.26 21O 25C14 21NE2 86.99 21O 25C14 23N 65.51 21O 25C14 20O 62.32 21CB 25C14 22CA 69.70 21CB 25C14 21CG 18.72 21CB 25C14 22C 85.11 21CB 25C14 21NE2 47.76 21CB 25C14 23N 98.97 21CB 25C14 20O 53.00 22CA 25C14 21CG 86.05 22CA 25C14 22C 18.65 22CA 25C14 23N 29.45 22CA 25C14 20O 54.92 21CG 25C14 22C 99.21 21CG 25C14 21NE2 29.49 21CG 25C14 20O 54.91 22C 25C14 23N 15.74 22C 25C14 20O 55.72 21NE2 25C14 20O 58.56 23N 25C14 20O 70.69 21OE1 25C15 21CD 18.02 21OE1 25C15 21NE2 36.11 21OE1 25C15 21CA 45.66 21OE1 25C15 20O 74.47 21OE1 25C15 21CG 20.94 21CD 25C15 21NE2 20.43 21CD 25C15 21CA 42.29 21CD 25C15 20O 63.32 21CD 25C15 21CG 11.31 21NE2 25C15 21CA 56.77 21NE2 25C15 20O 66.57 21NE2 25C15 21CG 29.05 21CA 25C15 20O 33.79 21CA 25C15 21CG 31.00 20O 25C15 21CG 54.47 19NE2 25C16 19OE1 34.42 19NE2 25C16 19CD 19.70 19NE2 25C16 23CA 57.42 19NE2 25C16 184NE1 74.14 19NE2 25C16 22O 38.47 19NE2 25C16 162ND1 77.08 19NE2 25C16 19CG 27.65 19NE2 25C16 23N 58.92 19NE2 25C16 22C 50.59 19OE1 25C16 19CD 18.10 19OE1 25C16 23CA 91.00 19OE1 25C16 184NE1 41.37 19OE1 25C16 22O 70.27 19OE1 25C16 162ND1 54.22 19OE1 25C16 19CG 28.11 19OE1 25C16 23N 93.23 19OE1 25C16 22C 83.37 19OE1 25C16 184CZ2 67.06 19CD 25C16 23CA 76.87 19CD 25C16 184NE1 54.73 19CD 25C16 22O 52.37 19CD 25C16 162ND1 70.37 19CD 25C16 19CG 14.40 19CD 25C16 23N 76.48 19CD 25C16 22C 65.58 19CD 25C16 184CZ2 83.17 23CA 25C16 22O 36.36 23CA 25C16 19CG 79.64 23CA 25C16 23N 16.38 23CA 25C16 22C 28.95 184NE1 25C16 162ND1 56.55 184NE1 25C16 19CG 54.16 184NE1 25C16 184CZ2 30.24 22O 25C16 19CG 48.64 22O 25C16 23N 26.88 22O 25C16 22C 13.31 162ND1 25C16 19CG 82.32 162ND1 25C16 184CZ2 51.21 19CG 25C16 23N 75.10 19CG 25C16 22C 61.77 19CG 25C16 184CZ2 84.32 23N 25C16 22C 15.32 162ND1 25S17 184CZ2 72.20 162ND1 25S17 184NE1 73.37 162ND1 25S17 162CE1 19.38 162ND1 25S17 19OE1 64.03 162ND1 25S17 184CE2 73.12 162ND1 25S17 162CG 16.82 162ND1 25S17 19CD 76.25 162ND1 25S17 19NE2 80.24 162ND1 25S17 162CB 31.46 162ND1 25S17 184CH2 75.04 162ND1 25S17 162NE2 24.22 162ND1 25S17 184CD1 76.19 184CZ2 25S17 184NE1 40.35 184CZ2 25S17 162CE1 61.98 184CZ2 25S17 19OE1 82.50 184CZ2 25S17 184CE2 20.39 184CZ2 25S17 162CG 64.57 184CZ2 25S17 19CD 94.35 184CZ2 25S17 162CB 73.92 184CZ2 25S17 184CH2 9.57 184CZ2 25S17 162NE2 50.06 184CZ2 25S17 184CD1 46.22 184NE1 25S17 162CE1 54.53 184NE1 25S17 19OE1 45.35 184NE1 25S17 184CE2 20.06 184NE1 25S17 162CG 77.66 184NE1 25S17 19CD 54.83 184NE1 25S17 19NE2 71.53 184NE1 25S17 162CB 94.60 184NE1 25S17 184CH2 49.77 184NE1 25S17 162NE2 51.06 184NE1 25S17 184CD1 6.15 162CE1 25S17 19OE1 48.96 162CE1 25S17 184CE2 57.43 162CE1 25S17 162CG 30.44 162CE1 25S17 19CD 62.94 162CE1 25S17 19NE2 71.39 162CE1 25S17 162CB 48.22 162CE1 25S17 184CH2 67.56 162CE1 25S17 162NE2 13.10 162CE1 25S17 184CD1 56.98 19OE1 25S17 184CE2 64.06 19OE1 25S17 162CG 78.89 19OE1 25S17 19CD 14.86 19OE1 25S17 19NE2 29.15 19OE1 25S17 162CB 95.48 19OE1 25S17 184CH2 91.95 19OE1 25S17 162NE2 57.76 19OE1 25S17 184CD1 41.33 184CE2 25S17 162CG 71.43 184CE2 25S17 19CD 74.69 184CE2 25S17 19NE2 91.37 184CE2 25S17 162CB 85.35 184CE2 25S17 184CH2 29.73 184CE2 25S17 162NE2 48.91 184CE2 25S17 184CD1 25.84 162CG 25S17 19CD 92.05 162CG 25S17 19NE2 97.02 162CG 25S17 162CB 18.20 162CG 25S17 184CH2 64.89 162CG 25S17 162NE2 27.13 162CG 25S17 184CD1 81.91 19CD 25S17 19NE2 16.70 19CD 25S17 162NE2 72.44 19CD 25S17 184CD1 49.68 19NE2 25S17 162NE2 82.84 19NE2 25S17 184CD1 66.32 162CB 25S17 184CH2 71.34 162CB 25S17 162NE2 45.10 162CB 25S17 184CD1 99.30 184CH2 25S17 162NE2 54.91 184CH2 25S17 184CD1 55.56 162NE2 25S17 184CD1 54.94 19NE2 25N18 23CA 73.04 19NE2 25N18 19CD 18.20 19NE2 25N18 22O 43.17 19NE2 25N18 19OE1 33.64 19NE2 25N18 23C 62.17 19NE2 25N18 25SG 78.34 19NE2 25N18 23N 70.88 19NE2 25N18 22C 57.87 19NE2 25N18 25CB 58.17 19NE2 25N18 24N 45.44 19NE2 25N18 162ND1 81.06 19NE2 25N18 25N 41.89 19NE2 25N18 23O 71.35 23CA 25N18 19CD 90.63 23CA 25N18 22O 43.03 23CA 25N18 23C 19.70 23CA 25N18 25SG 84.26 23CA 25N18 23N 17.82 23CA 25N18 22C 32.08 23CA 25N18 25CB 90.92 23CA 25N18 24N 31.17 23CA 25N18 25N 62.49 23CA 25N18 23O 26.79 19CD 25N18 22O 55.64 19CD 25N18 19OE1 17.64 19CD 25N18 23C 80.36 19CD 25N18 25SG 84.40 19CD 25N18 23N 86.18 19CD 25N18 22C 71.10 19CD 25N18 25CB 60.97 19CD 25N18 24N 63.63 19CD 25N18 162ND1 70.54 19CD 25N18 25N 54.63 19CD 25N18 23O 89.15 22O 25N18 19OE1 73.27 22O 25N18 23C 46.87 22O 25N18 23N 31.78 22O 25N18 22C 15.47 22O 25N18 25CB 93.37 22O 25N18 24N 37.57 22O 25N18 25N 64.91 22O 25N18 23O 60.03 19OE1 25N18 23C 93.60 19OE1 25N18 25SG 78.94 19OE1 25N18 22C 88.73 19OE1 25N18 25CB 54.74 19OE1 25N18 24N 77.36 19OE1 25N18 162ND1 53.80 19OE1 25N18 25N 59.44 19OE1 25N18 23O 99.98 23C 25N18 25SG 66.71 23C 25N18 23N 34.39 23C 25N18 22C 42.39 23C 25N18 25CB 71.24 23C 25N18 24N 16.74 23C 25N18 25N 43.13 23C 25N18 23O 13.17 25SG 25N18 25CB 24.23 25SG 25N18 24N 67.84 25SG 25N18 162ND1 54.04 25SG 25N18 25N 40.11 25SG 25N18 23O 57.50 23N 25N18 22C 17.29 23N 25N18 24N 39.13 23N 25N18 25N 73.32 23N 25N18 23O 44.07 22C 25N18 24N 39.37 22C 25N18 25N 71.95 22C 25N18 23O 54.65 25CB 25N18 24N 64.90 25CB 25N18 162ND1 43.82 25CB 25N18 25N 30.73 25CB 25N18 23O 66.97 24N 25N18 25N 34.26 24N 25N18 23O 27.47 162ND1 25N18 25N 73.32 25N 25N18 23O 43.35 25SG 25C19 25CB 30.95 25SG 25C19 19NE2 87.88 25SG 25C19 162ND1 72.09 25SG 25C19 23CA 92.18 25SG 25C19 19OE1 90.53 25SG 25C19 161O 75.25 25SG 25C19 19CD 92.51 25SG 25C19 25N 44.77 25SG 25C19 23C 73.06 25SG 25C19 162CE1 76.49 25SG 25C19 25CA 36.53 25SG 25C19 23O 62.97 25SG 25C19 162CG 75.04 25SG 25C19 24N 71.77 25SG 25C19 162CA 61.03 25CB 25C19 19NE2 64.00 25CB 25C19 162ND1 55.38 25CB 25C19 23CA 96.18 25CB 25C19 19OE1 59.77 25CB 25C19 161O 94.40 25CB 25C19 19CD 63.98 25CB 25C19 25N 33.81 25CB 25C19 23C 76.97 25CB 25C19 162CE1 52.78 25CB 25C19 25CA 15.71 25CB 25C19 23O 73.90 25CB 25C19 162CG 63.84 25CB 25C19 24N 67.67 25CB 25C19 162CA 66.83 19NE2 25C19 162ND1 88.64 19NE2 25C19 23CA 60.82 19NE2 25C19 19OE1 31.76 19NE2 25C19 19CD 16.34 19NE2 25C19 25N 44.95 19NE2 25C19 23C 56.12 19NE2 25C19 162CE1 73.67 19NE2 25C19 25CA 52.15 19NE2 25C19 23O 68.16 19NE2 25C19 24N 41.52 162ND1 25C19 19OE1 59.55 162ND1 25C19 161O 71.43 162ND1 25C19 19CD 75.22 162ND1 25C19 25N 86.60 162ND1 25C19 162CE1 15.59 162ND1 25C19 25CA 68.74 162ND1 25C19 162CG 12.11 162ND1 25C19 162CA 39.22 23CA 25C19 19OE1 92.31 23CA 25C19 19CD 76.28 23CA 25C19 25N 62.61 23CA 25C19 23C 19.89 23CA 25C19 25CA 81.01 23CA 25C19 23O 29.74 23CA 25C19 24N 29.49 19OE1 25C19 19CD 16.09 19OE1 25C19 25N 61.21 19OE1 25C19 23C 87.07 19OE1 25C19 162CE1 43.98 19OE1 25C19 25CA 56.66 19OE1 25C19 23O 97.48 19OE1 25C19 162CG 70.72 19OE1 25C19 24N 71.88 19OE1 25C19 162CA 98.02 161O 25C19 162CE1 86.98 161O 25C19 162CG 60.30 161O 25C19 162CA 34.11 19CD 25C19 25N 54.73 19CD 25C19 23C 72.44 19CD 25C19 162CE1 59.74 19CD 25C19 25CA 56.11 19CD 25C19 23O 84.17 19CD 25C19 162CG 86.63 19CD 25C19 24N 57.70 25N 25C19 23C 44.11 25N 25C19 162CE1 79.19 25N 25C19 25CA 18.40 25N 25C19 23O 44.87 25N 25C19 162CG 96.59 25N 25C19 24N 33.86 25N 25C19 162CA 99.25 23C 25C19 25CA 62.33 23C 25C19 23O 14.57 23C 25C19 24N 15.37 162CE1 25C19 25CA 63.05 162CE1 25C19 162CG 26.96 162CE1 25C19 162CA 54.63 25CA 25C19 23O 61.33 25CA 25C19 162CG 78.31 25CA 25C19 24N 52.11 25CA 25C19 162CA 82.37 23O 25C19 24N 26.74 162CG 25C19 162CA 30.21 20O 25N20 19CD 87.74 20O 25N20 19NE2 89.20 20O 25N20 19CG 65.65 20O 25N20 22O 66.51 20O 25N20 20C 2.25 20O 25N20 184CD1 99.19 20O 25N20 22N 43.43 20O 25N20 22C 67.94 20O 25N20 21CA 31.81 20O 25N20 19CB 59.50 19CD 25N20 19NE2 20.94 19CD 25N20 19CG 24.17 19CD 25N20 19OE1 18.66 19CD 25N20 22O 59.53 19CD 25N20 184NE1 61.57 19CD 25N20 20C 89.98 19CD 25N20 184CD1 58.87 19CD 25N20 22N 90.16 19CD 25N20 22C 72.14 19CD 25N20 184CE2 73.87 19CD 25N20 19CB 28.25 19NE2 25N20 19CG 38.17 19NE2 25N20 19OE1 34.54 19NE2 25N20 22O 42.18 19NE2 25N20 184NE1 79.08 19NE2 25N20 20C 91.23 19NE2 25N20 184CD1 79.14 19NE2 25N20 22N 76.95 19NE2 25N20 22C 53.71 19NE2 25N20 184CE2 90.08 19NE2 25N20 19CB 35.63 19CG 25N20 19OE1 37.15 19CG 25N20 22O 61.25 19CG 25N20 184NE1 67.75 19CG 25N20 20C 67.89 19CG 25N20 184CD1 57.44 19CG 25N20 22N 80.74 19CG 25N20 22C 74.00 19CG 25N20 21CA 93.39 19CG 25N20 184CE2 80.81 19CG 25N20 19CB 11.02 19OE1 25N20 22O 76.29 19OE1 25N20 184NE1 44.61 19OE1 25N20 184CD1 46.08 19OE1 25N20 22C 88.22 19OE1 25N20 184CE2 56.16 19OE1 25N20 19CB 44.63 22O 25N20 20C 67.58 22O 25N20 22N 36.33 22O 25N20 22C 13.03 22O 25N20 21CA 65.40 22O 25N20 19CB 51.11 184NE1 25N20 184CD1 17.40 184NE1 25N20 184CE2 13.10 184NE1 25N20 19CB 78.62 20C 25N20 22N 43.20 20C 25N20 22C 68.49 20C 25N20 21CA 30.05 20C 25N20 19CB 61.74 184CD1 25N20 184CE2 27.05 184CD1 25N20 19CB 68.40 22N 25N20 22C 29.81 22N 25N20 21CA 29.53 22N 25N20 19CB 69.93 22C 25N20 21CA 59.18 22C 25N20 19CB 63.62 21CA 25N20 19CB 84.67 184CE2 25N20 19CB 91.71 162ND1 25C21 25SG 76.59 162ND1 25C21 162CE1 18.63 162ND1 25C21 162CG 18.63 162ND1 25C21 161O 88.59 162ND1 25C21 25CB 58.66 162ND1 25C21 162CB 39.41 162ND1 25C21 19OE1 66.84 162ND1 25C21 162CA 48.39 162ND1 25C21 19NE2 91.07 162ND1 25C21 19CD 80.09 162ND1 25C21 162NE2 16.42 162ND1 25C21 161C 78.48 162ND1 25C21 184CZ2 60.80 162ND1 25C21 162CD2 15.86 162ND1 25C21 184NE1 63.09 162ND1 25C21 162N 62.96 25SG 25C21 162CE1 82.30 25SG 25C21 162CG 85.48 25SG 25C21 161O 75.19 25SG 25C21 25CB 27.93 25SG 25C21 162CB 86.01 25SG 25C21 19OE1 84.07 25SG 25C21 162CA 67.62 25SG 25C21 19NE2 71.84 25SG 25C21 19CD 81.26 25SG 25C21 162NE2 89.59 25SG 25C21 161C 76.87 25SG 25C21 162CD2 91.13 25SG 25C21 162N 73.63 162CE1 25C21 162CG 34.59 162CE1 25C21 25CB 58.15 162CE1 25C21 162CB 56.62 162CE1 25C21 19OE1 49.16 162CE1 25C21 162CA 67.01 162CE1 25C21 19NE2 75.88 162CE1 25C21 19CD 63.04 162CE1 25C21 162NE2 10.76 162CE1 25C21 161C 97.04 162CE1 25C21 184CZ2 52.78 162CE1 25C21 162CD2 25.92 162CE1 25C21 184NE1 46.57 162CE1 25C21 162N 81.54 162CG 25C21 161O 74.86 162CG 25C21 25CB 73.56 162CG 25C21 162CB 22.12 162CG 25C21 19OE1 83.74 162CG 25C21 162CA 37.08 162CG 25C21 19CD 97.60 162CG 25C21 162NE2 27.00 162CG 25C21 161C 64.13 162CG 25C21 184CZ2 58.58 162CG 25C21 162CD2 11.67 162CG 25C21 184NE1 71.27 162CG 25C21 162N 49.24 161O 25C21 25CB 96.45 161O 25C21 162CB 53.58 161O 25C21 162CA 40.31 161O 25C21 161C 10.85 161O 25C21 162CD2 86.16 161O 25C21 162N 25.81 25CB 25C21 162CB 84.13 25CB 25C21 19OE1 58.32 25CB 25C21 162CA 73.26 25CB 25C21 19NE2 55.61 25CB 25C21 19CD 59.29 25CB 25C21 162NE2 67.37 25CB 25C21 161C 94.34 25CB 25C21 162CD2 74.51 25CB 25C21 184NE1 89.62 25CB 25C21 162N 85.19 162CB 25C21 162CA 21.46 162CB 25C21 162NE2 48.98 162CB 25C21 161C 42.74 162CB 25C21 184CZ2 70.53 162CB 25C21 162CD2 32.77 162CB 25C21 184NE1 90.36 162CB 25C21 162N 28.88 19OE1 25C21 19NE2 30.01 19OE1 25C21 19CD 14.42 19OE1 25C21 162NE2 57.58 19OE1 25C21 184CZ2 67.32 19OE1 25C21 162CD2 74.15 19OE1 25C21 184NE1 37.69 162CA 25C21 162NE2 62.57 162CA 25C21 161C 30.75 162CA 25C21 184CZ2 91.75 162CA 25C21 162CD2 48.73 162CA 25C21 162N 15.49 19NE2 25C21 19CD 16.41 19NE2 25C21 162NE2 85.63 19NE2 25C21 184CZ2 94.21 19NE2 25C21 184NE1 63.87 19CD 25C21 162NE2 71.85 19CD 25C21 184CZ2 78.23 19CD 25C21 162CD2 88.39 19CD 25C21 184NE1 47.85 162NE2 25C21 161C 91.07 162NE2 25C21 184CZ2 46.06 162NE2 25C21 162CD2 16.57 162NE2 25C21 184NE1 47.02 162NE2 25C21 162N 75.95 161C 25C21 162CD2 75.36 161C 25C21 162N 15.54 184CZ2 25C21 162CD2 49.06 184CZ2 25C21 184NE1 30.38 184CZ2 25C21 162N 97.18 162CD2 25C21 184NE1 59.61 162CD2 25C21 162N 60.72 25SG 25C22 25CB 34.32 25SG 25C22 25N 58.23 25SG 25C22 23O 96.62 25SG 25C22 25CA 41.06 25SG 25C22 161O 88.83 25SG 25C22 19NE2 94.39 25SG 25C22 24N 94.80 25SG 25C22 162ND1 67.14 25SG 25C22 26N 28.02 25SG 25C22 24C 63.81 25SG 25C22 25C 28.81 25SG 25C22 162CA 61.80 25SG 25C22 26CD1 59.67 25CB 25C22 25N 41.88 25CB 25C22 23C 94.72 25CB 25C22 23O 97.61 25CB 25C22 25CA 20.48 25CB 25C22 19NE2 62.01 25CB 25C22 24N 79.22 25CB 25C22 162ND1 50.87 25CB 25C22 26N 40.24 25CB 25C22 24C 51.06 25CB 25C22 25C 25.68 25CB 25C22 162CA 70.19 25CB 25C22 26CD1 77.04 25N 25C22 23CA 72.11 25N 25C22 23C 53.07 25N 25C22 23O 56.89 25N 25C22 25CA 21.75 25N 25C22 19NE2 46.70 25N 25C22 24N 38.64 25N 25C22 162ND1 88.45 25N 25C22 26N 36.83 25N 25C22 24C 9.50 25N 25C22 25C 29.43 25N 25C22 26CD1 53.68 23CA 25C22 23C 23.35 23CA 25C22 23O 37.19 23CA 25C22 25CA 93.17 23CA 25C22 19NE2 58.05 23CA 25C22 24N 33.59 23CA 25C22 26N 99.96 23CA 25C22 24C 64.82 23CA 25C22 26CD1 78.54 23C 25C22 23O 18.81 23C 25C22 25CA 74.82 23C 25C22 19NE2 57.79 23C 25C22 24N 16.66 23C 25C22 26N 76.83 23C 25C22 24C 44.46 23C 25C22 25C 78.94 23C 25C22 26CD1 57.31 23O 25C22 25CA 77.22 23O 25C22 19NE2 74.75 23O 25C22 24N 30.81 23O 25C22 26N 69.15 23O 25C22 24C 47.40 23O 25C22 25C 76.13 23O 25C22 26CD1 41.43 25CA 25C22 19NE2 54.59 25CA 25C22 24N 60.09 25CA 25C22 162ND1 70.00 25CA 25C22 26N 30.49 25CA 25C22 24C 30.68 25CA 25C22 25C 15.62 25CA 25C22 162CA 89.97 25CA 25C22 26CD1 62.21 161O 25C22 162ND1 66.24 161O 25C22 162CA 34.26 19NE2 25C22 24N 44.06 19NE2 25C22 162ND1 75.31 19NE2 25C22 26N 82.03 19NE2 25C22 24C 49.24 19NE2 25C22 25C 69.71 19NE2 25C22 26CD1 96.23 24N 25C22 26N 68.47 24N 25C22 24C 31.27 24N 25C22 25C 66.84 24N 25C22 26CD1 59.64 162ND1 25C22 26N 88.16 162ND1 25C22 24C 97.87 162ND1 25C22 25C 75.88 162ND1 25C22 162CA 38.60 26N 25C22 24C 39.22 26N 25C22 25C 15.72 26N 25C22 162CA 89.81 26N 25C22 26CD1 37.42 24C 25C22 25C 35.57 24C 25C22 26CD1 47.97 25C 25C22 162CA 86.23 25C 25C22 26CD1 51.39 25SG 25O23 25N 74.67 25SG 25O23 25CB 38.15 25SG 25O23 25CA 54.63 25SG 25O23 24C 85.79 25SG 25O23 26N 43.64 25SG 25O23 25C 46.38 25SG 25O23 19OE1 92.56 25SG 25O23 26CD1 68.54 25SG 25O23 162ND1 54.77 25SG 25O23 24O 79.70 23C 25O23 25N 73.70 23C 25O23 23CA 31.55 23C 25O23 23O 24.72 23C 25O23 24N 24.08 23C 25O23 19NE2 78.98 23C 25O23 25CA 97.79 23C 25O23 24C 59.01 23C 25O23 24CA 36.52 23C 25O23 23N 33.47 23C 25O23 22O 48.06 23C 25O23 19CD 90.90 23C 25O23 26N 92.04 23C 25O23 25C 96.56 23C 25O23 26CD1 66.16 23C 25O23 22C 38.64 23C 25O23 24O 64.99 25N 25O23 23O 75.80 25N 25O23 25CB 50.26 25N 25O23 24N 53.76 25N 25O23 19NE2 61.26 25N 25O23 25CA 24.14 25N 25O23 24C 14.83 25N 25O23 24CA 37.18 25N 25O23 23N 97.04 25N 25O23 22O 79.60 25N 25O23 19CD 63.80 25N 25O23 26N 37.49 25N 25O23 25C 28.32 25N 25O23 19OE1 68.00 25N 25O23 26CD1 60.48 25N 25O23 22C 87.54 25N 25O23 162ND1 89.51 25N 25O23 24O 9.64 23CA 25O23 23O 48.80 23CA 25O23 24N 46.69 23CA 25O23 19NE2 77.35 23CA 25O23 24C 86.89 23CA 25O23 24CA 64.88 23CA 25O23 23N 7.95 23CA 25O23 22O 38.18 23CA 25O23 19CD 87.87 23CA 25O23 26CD1 93.73 23CA 25O23 22C 23.48 23CA 25O23 24O 93.16 23O 25O23 24N 42.48 23O 25O23 25CA 97.01 23O 25O23 24C 61.75 23O 25O23 24CA 43.63 23O 25O23 23N 53.76 23O 25O23 22O 72.77 23O 25O23 26N 79.20 23O 25O23 25C 89.58 23O 25O23 26CD1 44.93 23O 25O23 22C 62.49 23O 25O23 24O 66.16 25CB 25O23 19NE2 75.63 25CB 25O23 25CA 26.15 25CB 25O23 24C 64.94 25CB 25O23 24CA 87.43 25CB 25O23 19CD 67.69 25CB 25O23 26N 43.69 25CB 25O23 25C 31.03 25CB 25O23 19OE1 57.73 25CB 25O23 26CD1 83.37 25CB 25O23 162ND1 43.20 25CB 25O23 24C 59.04 24N 25O23 19NE2 59.02 24N 25O23 25CA 77.52 24N 25O23 24C 40.38 24N 25O23 24CA 19.70 24N 25O23 23N 44.10 24N 25O23 22C 40.11 24N 25O23 19CD 70.43 24N 25O23 26N 81.70 24N 25O23 25C 80.42 24N 25O23 19OE1 85.06 24N 25O23 26CD1 70.58 24N 25O23 22C 39.18 24N 25O23 24O 46.65 19NE2 25O23 25CA 66.95 19NE2 25O23 24C 63.26 19NE2 25O23 24CA 65.23 19NE2 25O23 23N 69.48 19NE2 25O23 22O 39.17 19NE2 25O23 19CD 11.94 19NE2 25O23 26N 96.41 19NE2 25O23 25C 81.46 19NE2 25O23 19OE1 27.37 19NE2 25O23 22C 53.87 19NE2 25O23 162ND1 76.87 19NE2 25O23 24O 65.05 25CA 25O23 24C 38.79 25CA 25O23 24CA 61.29 25CA 25O23 22O 96.77 25CA 25O23 19CD 63.98 25CA 25O23 26N 31.96 25CA 25O23 25C 15.29 25CA 25O23 19OE1 61.11 25CA 25O23 26CD1 68.99 25CA 25O23 162ND1 67.28 25CA 25O23 24O 32.93 24C 25O23 24CA 22.55 24C 25O23 23N 84.41 24C 25O23 22O 71.79 24C 25O23 19CD 68.91 24C 25O23 26N 44.17 24C 25O23 25C 40.07 24C 25O23 19OE1 76.59 24C 25O23 26CD1 54.93 24C 25O23 22C 77.02 24C 25O23 24O 6.27 24CA 25O23 23N 63.29 24CA 25O23 22O 57.79 24CA 25O23 19CD 74.68 24CA 25O23 26N 62.01 24CA 25O23 25C 61.72 24CA 25O23 19OE1 86.76 24CA 25O23 26CD1 55.98 24CA 25O23 22C 58.75 24CA 25O23 24O 28.67 23N 25O23 22O 30.31 23N 25O23 19CD 79.92 23N 25O23 19OE1 93.90 23N 25O23 26CD1 98.39 23N 25O23 22C 15.63 23N 25O23 24O 90.66 22O 25O23 19CD 49.86 22O 25O23 19OE1 64.43 22O 25O23 22C 14.70 22O 25O23 24O 77.07 19CD 25O23 26N 95.38 19CD 25O23 25C 79.18 19CD 25O23 19OE1 15.44 19CD 25O23 22C 64.49 19CD 25O23 162ND1 64.94 19CD 25O23 24O 69.44 26N 25O23 25C 16.77 26N 25O23 19OE1 92.94 26N 25O23 26CD1 39.94 26N 25O23 162ND1 84.95 26N 25O23 24O 38.78 25C 25O23 19OE1 76.17 25C 25O23 26CD1 55.41 25C 25O23 162ND1 74.20 25C 25O23 24O 33.82 19OE1 25O23 22C 78.82 19OE1 25O23 162ND1 49.5O 19OE1 25O23 24O 75.54 26CD1 25O23 24O 54.16 22C 25O23 24O 82.96 162ND1 25O23 24O 99.10 64O 25C24 61OD1 49.69 64O 25C25 61OD1 65.86 64O 25C25 64C 4.04 64O 25C25 65CA 36.03 64O 25C25 61CG 60.48 64O 25C25 65N 18.55 61OD1 25C25 64C 66.57 61OD1 25C25 65CA 65.57 61OD1 25C25 61CG 12.80 61OD1 25C25 65N 65.27 64C 25C25 65CA 32.21 64C 25C25 61CG 62.08 64C 25C25 65N 14.69 65CA 25C25 61CG 68.81 65CA 25C25 65N 17.52 61CG 25C25 65N 64.30 64O 25C26 61OD1 75.97 64O 25C26 65CA 46.13 64O 25C26 65C 60.97 64O 25C26 64C 10.65 64O 25C26 66N 77.86 64O 25C26 61CG 67.54 64O 25C26 65N 27.99 64O 25C26 65O 58.42 64O 25C26 61CB 50.52 61OD1 25C26 65CA 81.67 61OD1 25C26 65C 66.87 61OD1 25C26 64C 74.15 61OD1 25C26 66N 75.37 61OD1 25C26 61CG 10.88 61OD1 25C26 65N 75.81 61OD1 25C26 65O 51.81 61OD1 25C26 61CB 25.47 65CA 25C26 65C 22.26 65CA 25C26 64C 35.83 65CA 25C26 66N 33.99 65CA 25C26 61CG 80.84 65CA 25C26 65N 18.46 65CA 25C26 65O 32.38 65CA 25C26 61CB 65.67 65C 25C26 64C 50.43 65C 25C26 66N 17.99 65C 25C26 61CG 69.56 65C 25C26 65N 34.42 65C 25C26 65O 15.34 65C 25C26 61CB 58.96 64C 25C26 66N 67.22 64C 25C26 61CG 67.20 64C 25C26 65N 17.48 64C 25C26 65O 48.92 64C 25C26 61CB 49.45 66N 25C26 61CG 80.82 66N 25C26 65N 50.23 66N 25C26 65O 29.57 66N 25C26 61CB 73.71 61CG 25C26 65N 71.80 61CG 25C26 65O 54.22 61CG 25C26 61CB 17.81 65N 25C26 65O 36.92 65N 25C26 61CB 54.59 65O 25C26 61CB 44.43 61OD1 25C27 64O 56.92 61OD1 25C27 66N 69.33 61OD1 25C27 65C 57.67 61OD1 25C27 65CA 66.06 61OD1 25C27 61CG 5.76 64O 25C27 66N 63.73 64O 25C27 65C 48.11 64O 25C27 65CA 35.11 64O 25C27 61CG 54.18 66N 25C27 67CE2 75.89 66N 25C27 65C 16.74 66N 25C27 65CA 30.26 66N 25C27 61CG 73.19 66N 25C27 67OH 95.43 67CE2 25C27 65C 91.10 67CE2 25C27 67OH 29.04 65C 25C27 65CA 18.79 65C 25C27 61CG 60.5O 65CA 25C27 61CG 67.06 61OD1 25C28 67CE2 87.37 67OH 25C28 67CE2 29.20 67CE2 25C30 66CA 87.59 67CE2 25C30 67CD2 20.16 67CE2 25C30 67CZ 18.73 67CE2 25C30 67OH 34.56 67CE2 25C30 66C 70.31 67CE2 25C30 66O 70.72 67CE2 25C30 67CG 25.18 66N 25C30 61OD1 77.24 66N 25C30 66CA 21.80 66N 25C30 67CD2 87.09 66N 25C30 65C 18.44 66N 25C30 66C 34.83 66N 25C30 66O 37.41 66N 25C30 65O 28.55 66N 25C30 65CA 30.87 66N 25C30 67CG 79.90 61OD1 25C30 66CA 79.21 61OD1 25C30 65C 61.19 61OD1 25C30 66C 99.06 61OD1 25C30 65O 48.69 61OD1 25C30 65CA 65.35 66CA 25C30 67CD2 68.10 66CA 25C30 67CZ 95.64 66CA 25C30 65C 34.85 66CA 25C30 66C 20.50 66CA 25C30 66O 32.31 66CA 25C30 65O 36.26 66CA 25C30 65CA 51.45 66CA 25C30 67CG 63.14 67CD2 25C30 67CZ 35.10 67CD2 25C30 67OH 53.38 67CD2 25C30 66C 52.50 67CD2 25C30 66O 56.67 67CD2 25C30 67CG 11.66 67CZ 25C30 67OH 19.01 67CZ 25C30 66C 75.82 67CZ 25C30 66O 70.92 67CZ 25C30 67CG 34.09 65C 25C30 66C 52.09 65C 25C30 66O 55.84 65C 25C30 65O 14.76 65C 25C30 65CA 18.69 65C 25C30 67CG 97.10 67OH 25C30 66C 93.31 67OH 25C30 66O 85.90 67OH 25C30 67CG 53.10 66C 25C30 66O 15.93 66C 25C30 65O 56.33 66C 25C30 65CA 65.39 66C 25C30 67CG 45.14 66O 25C30 65O 64.17 66O 25C30 65CA 64.29 66O 25C30 67CG 46.61 65O 25C30 65CA 29.99 65O 25C30 67CG 98.82 67CE2 25O31 67CZ 25.44 67CE2 25O31 67OH 43.21 67CE2 25O31 67CD2 21.71 67CE2 25O31 66O 86.23 67CE2 25O31 66C 79.23 67CE2 25O31 66CA 90.96 67CE2 25O31 67CE1 36.09 67CE2 25O31 67CG 31.92 67CE2 25O31 67CD1 36.21 67CE2 25O31 67N 65.41 67CZ 25O31 67OH 23.53 67CZ 25O31 67CD2 40.63 67CZ 25O31 66O 90.28 67CZ 25O31 66C 90.73 67CZ 25O31 67CE1 17.83 67CZ 25O31 67CG 39.73 67CZ 25O31 67CD1 30.41 67CZ 25O31 67N 78.58 67OH 25O31 67CD2 62.56 67OH 25O31 67CE1 36.02 67OH 25O31 67CG 63.25 67OH 25O31 67CD1 52.26 67CD2 25O31 66O 66.16 67CD2 25O31 66N 90.96 67CD2 25O31 66C 57.61 67CD2 25O31 66CA 69.91 67CD2 25O31 67CE1 41.91 67CD2 25O31 67CG 16.99 67CD2 25O31 67CD1 31.58 67CD2 25O31 67N 43.75 66O 25O31 66N 42.55 66O 25O31 66C 18.09 66O 25O31 66CA 35.81 66O 25O31 67CE1 75.32 66O 25O31 67CG 54.80 66O 25O31 65C 57.68 66O 25O31 67CD1 59.89 66O 25O31 67N 27.36 66O 25O31 65CA 66.84 66N 25O31 66C 37.22 66N 25O31 66CA 21.24 66N 25O31 67CG 88.11 66N 25O31 65C 15.16 66N 25O31 67CD1 99.35 66N 25O31 67N 49.30 66N 25O31 65CA 28.53 66C 25O31 66CA 21.98 66C 25O31 67CE1 79.50 66C 25O31 67CG 51.32 66C 25O31 65C 51.46 66C 25O31 67CD1 62.32 66C 25O31 67N 13.91 66C 25O31 65CA 65.42 66CA 25O31 67CE1 99.90 66CA 25O31 67CG 68.85 66CA 25O31 65C 32.23 66CA 25O31 67CD1 82.55 66CA 25O31 67N 30.44 66CA 25O31 65CA 48.87 67CE1 25O31 67CG 33.08 67CE1 25O31 67CD1 17.35 67CE1 25O31 67N 69.51 67CG 25O31 67CD1 17.79 67CG 25O31 67N 38.86 65C 25O31 67N 62.38 65C 25O31 65CA 17.93 67CD1 25O31 67N 52.17 67N 25O31 65CA 77.82 66O 25C32 66N 41.03 66O 25C32 67CZ 76.35 66O 25C32 67OH 95.33 66O 25C32 67CE2 69.48 66O 25C32 66C 15.10 66O 25C32 66CA 31.92 66O 25C32 65CA 69.81 66O 25C32 65C 56.36 66O 25C32 67CE1 66.82 66O 25C32 67CD2 53.70 66N 25C32 67CE2 87.72 66N 25C32 66C 33.67 66N 25C32 66CA 17.88 66N 25C32 65CA 31.90 66N 25C32 65C 15.39 66N 25C32 67CD2 73.68 67CZ 25C32 67OH 19.19 67CZ 25C32 67CE2 19.23 67CZ 25C32 66C 73.63 67CZ 25C32 66CA 85.66 67CZ 25C32 67CE1 16.63 67CZ 25C32 67CD2 30.02 67OH 25C32 67CE2 33.49 67OH 25C32 66C 92.69 67OH 25C32 67CE1 30.65 67OH 25C32 67CD2 47.69 67CE2 25C32 66C 62.32 67CE2 25C32 66CA 70.20 67CE2 25C32 65C 96.55 67CE2 25C32 67CE1 30.87 67CE2 25C32 67CD2 16.03 66C 25C32 66CA 19.46 66C 25C32 65CA 65.30 66C 25C32 65C 48.62 66C 25C32 67CE1 68.20 66C 25C32 67CD2 46.37 66CA 25C32 65CA 49.19 66CA 25C32 65C 30.83 66CA 25C32 67CE1 84.10 66CA 25C32 67CD2 55.84 65CA 25C32 65C 19.14 65C 25C32 67CD2 84.41 67CE1 25C32 67CD2 33.97 67OH 25O33 67CZ 16.87 67OH 25O33 66N 97.69 67OH 25O33 67CE2 28.97 67OH 25O33 160O 89.11 67CZ 25O33 66N 81.70 67CZ 25O33 67CE2 16.30 67CZ 25O33 160O 93.56 66N 25O33 67CE2 69.22 66O 25C34 66N 39.13 66O 25C34 65CA 71.17 66O 25C34 25SG 87.16 66O 25C34 65C 53.66 66O 25C34 66C 9.91 66N 25C34 65CA 32.59 66N 25C34 25SG 85.90 66N 25C34 65C 14.62 66N 25C34 66C 30.25 161O 25C34 161C 15.14 161O 25C34 25SG 60.22 161O 25C34 160O 61.47 65CA 25C34 25SG 79.10 65CA 25C34 65C 18.14 65CA 25C34 66C 62.76 161C 25C34 25SG 68.39 161C 25C34 160O 48.09 25SG 25C34 65C 84.17 25SG 25C34 66C 90.62 65C 25C34 66C 44.86 161O 25C35 160O 72.48 161O 25C35 161C 18.16 161O 25C35 162N 31.48 161O 25C35 161CA 33.51 161O 25C35 163N 64.70 161O 25C35 160C 64.27 161O 25C35 25SG 63.17 161O 25C35 162CA 35.94 161O 25C35 161N 48.76 161O 25C35 162C 54.37 160O 25C35 161C 58.42 160O 25C35 162N 63.10 160O 25C35 161CA 39.04 160O 25C35 160C 13.43 160O 25C35 162CA 80.67 160O 25C35 161N 27.44 160O 25C35 162C 86.34 161C 25C35 162N 17.93 161C 25C35 161CA 20.68 161C 25C35 163N 61.49 161C 25C35 160C 48.25 161C 25C35 25SG 75.24 161C 25C35 162CA 31.05 161C 25C35 161N 32.29 161C 25C35 162C 47.54 66O 25C35 25SG 85.01 162N 25C35 161CA 32.91 162N 25C35 163N 45.91 162N 25C35 160C 50.42 162N 25C35 25SG 71.74 162N 25C35 162CA 17.88 162N 25C35 161N 35.87 162N 25C35 162C 30.79 161CA 25C35 163N 78.80 161CA 25C35 160C 31.32 161CA 25C35 25SG 95.35 161CA 25C35 162CA 49.73 161CA 25C35 161N 17.33 161CA 25C35 162C 63.45 163N 25C35 160C 88.14 163N 25C35 25SG 47.65 163N 25C35 162CA 30.56 163N 25C35 161N 77.99 163N 25C35 162C 15.86 160C 25C35 162CA 67.69 160C 25C35 161N 15.98 160C 25C35 162C 72.94 25SG 25C35 162CA 55.42 25SG 25C35 162C 57.22 162CA 25C35 161N 53.66 162CA 25C35 162C 18.43 161N 25C35 162C 62.17 66O 25C36 163CB 99.95 66O 25C36 66C 0.80 66O 25C36 25SG 91.26 66O 25C36 68SD 70.79 66O 25C36 26CB 44.37 163CB 25C36 163N 35.50 163CB 25C36 163CA 19.65 163CB 25C36 134CB 72.59 163CB 25C36 162C 49.56 163CB 25C36 25SG 58.45 163CB 25C36 68SD 45.87 163CB 25C36 162N 79.29 163CB 25C36 161C 92.40 163CB 25C36 26CB 57.89 163N 25C36 163CA 19.24 163N 25C36 134CB 72.07 163N 25C36 162C 15.66 163N 25C36 25SG 48.74 163N 25C36 160O 94.75 163N 25C36 68SD 80.23 163N 25C36 162N 44.07 163N 25C36 161C 56.92 163N 25C36 26CB 84.19 163CA 25C36 134CB 63.35 163CA 25C36 162C 30.81 163CA 25C36 25SG 59.31 163CA 25C36 68SD 61.48 163CA 25C36 162N 60.75 163CA 25C36 161C 74.90 163CA 25C36 26CB 76.21 134CB 25C36 162C 66.02 134CB 25C36 160O 71.49 134CB 25C36 68SD 70.15 134CB 25C36 162N 74.57 134CB 25C36 161C 86.37 162C 25C36 25SG 57.47 162C 25C36 160O 79.13 162C 25C36 68SD 91.74 162C 25C36 162N 29.94 162C 25C36 161C 44.33 162C 25C36 26CB 99.68 66C 25C36 25SG 91.85 66C 25C36 68SD 71.28 66C 25C36 26CB 45.17 25SG 25C36 68SD 94.27 25SG 25C36 162N 65.87 25SG 25C36 161C 65.98 25SG 25C36 26CB 58.75 160O 25C36 162N 52.97 160O 25C36 161C 46.61 68SD 25C36 26CB 51.40 162N 25C36 161C 15.56 66O 25C37 67CD1 72.85 66O 25C37 67CE1 84.55 66O 25C37 66C 7.48 66O 25C37 67CG 55.90 66O 25C37 67CZ 77.27 66O 25C37 67CA 36.66 66O 25C37 68SD 75.55 66O 25C37 163CB 87.96 66O 25C37 68CE 96.44 66O 25C37 67N 20.80 67CD1 25C37 67CE1 21.00 67CD1 25C37 209CD2 54.83 67CD1 25C37 66C 65.41 67CD1 25C37 67CG 16.96 67CD1 25C37 67CZ 32.06 67CD1 25C37 67CA 45.91 67CD1 25C37 68SD 86.51 67CD1 25C37 68CE 88.92 67CD1 25C37 67N 53.96 67CE1 25C37 209CD2 57.96 67CE1 25C37 66C 77.24 67CE1 25C37 67CG 32.77 67CE1 25C37 67CZ 16.58 67CE1 25C37 67CA 64.93 67CE1 25C37 67N 69.10 209CD2 25C37 134CB 54.20 209CD2 25C37 67CG 69.67 209CD2 25C37 67CZ 74.22 209CD2 25C37 67CA 82.39 209CD2 25C37 68SD 72.35 209CD2 25C37 68CE 57.34 209CD2 25C37 67N 98.27 209CD2 25C37 160O 99.57 66C 25C37 67CG 48.46 66C 25C37 67CZ 70.63 66C 25C37 67CA 31.49 66C 25C37 68SD 76.55 66C 25C37 163CB 93.59 66C 25C37 68CE 96.76 66C 25C37 67N 14.69 134CB 25C37 68SD 73.29 134CB 25C37 163CB 66.42 134CB 25C37 68CE 52.90 134CB 25C37 160O 70.87 67CG 25C37 67CZ 36.23 67CG 25C37 67CA 32.41 67CG 25C37 68SD 83.13 67CG 25C37 68CE 91.57 67CG 25C37 67N 37.47 67CZ 25C37 67CA 67.51 67CZ 25C37 67N 66.38 67CZ 25C37 160O 95.75 67CA 25C37 68SD 57.53 67CA 25C37 163CB 92.22 67CA 25C37 68CE 73.28 67CA 25C37 67N 17.05 68SD 25C37 163CB 43.37 68SD 25C37 68CE 21.25 68SD 25C37 67N 68.73 163CB 25C37 68CE 46.72 163CB 25C37 67N 95.05 68CE 25C37 67N 87.13 66O 25C38 26CB 65.13 66O 25C38 66C 6.46 66O 25C38 26CA 86.69 66O 25C38 26N 98.55 66O 25C38 68SD 86.25 66O 25C38 26CG 59.16 66O 25C38 26CD1 64.07 66O 25C38 66N 34.26 66O 25C38 67CA 29.20 66O 25C38 67N 14.41 66O 25C38 66CA 18.99 163CB 25C38 26CB 81.15 163CB 25C38 25SG 73.30 163CB 25C38 163N 37.84 163CB 25C38 26CA 60.80 163CB 25C38 26N 60.85 163CB 25C38 163CA 18.86 163CB 25C38 68SD 54.22 163CB 25C38 26CG 95.41 163CB 25C38 162C 48.20 26CB 25C38 25SG 80.09 26CB 25C38 66C 58.81 26CB 25C38 26CA 21.77 26CB 25C38 26N 35.93 26CB 25C38 163CA 98.31 26CB 25C38 68SD 66.22 26CB 25C38 26CG 18.06 26CB 25C38 26CD1 34.61 26CB 25C38 66N 65.47 26CB 25C38 67CA 61.54 26CB 25C38 67N 56.77 26CB 25C38 66CA 58.47 25SG 25C38 163N 55.98 25SG 25C38 26CA 68.25 25SG 25C38 26N 47.87 25SG 25C38 163CA 68.75 25SG 25C38 26CG 73.64 25SG 25C38 26CD1 61.85 25SG 25C38 66N 91.11 25SG 25C38 162C 60.63 163N 25C38 26CA 87.46 163N 25C38 26N 76.37 163N 25C38 163CA 20.53 163N 25C38 68SD 89.44 163N 25C38 162C 12.27 66C 25C38 26CA 80.45 66C 25C38 26N 92.09 66C 25C38 68SD 84.88 66C 25C38 26CG 52.75 66C 25C38 26CD1 58.32 66C 25C38 66N 32.59 66C 25C38 67CA 29.60 66C 25C38 67N 12.87 66C 25C38 66CA 15.91 26CA 25C38 26N 20.39 26CA 25C38 163CA 77.00 26CA 25C38 68SD 62.23 26CA 25C38 26CG 34.72 26CA 25C38 26CD1 45.79 26CA 25C38 66N 84.74 26CA 25C38 67CA 78.68 26CA 25C38 67N 77.24 26CA 25C38 66CA 79.85 26CA 25C38 162C 99.66 26N 25C38 163CA 72.27 26N 25C38 68SD 79.71 26N 25C38 26CG 39.78 26N 25C38 26CD1 42.14 26N 25C38 66N 85.55 26N 25C38 67CA 97.07 26N 25C38 67N 92.29 26N 25C38 66CA 86.55 26N 25C38 162C 87.67 163CA 25C38 68SD 68.96 163CA 25C38 162C 29.60 68SD 25C38 26CG 83.61 68SD 25C38 67CA 57.57 68SD 25C38 67N 72.28 68SD 25C38 66CA 98.54 68SD 25C38 162C 96.25 26CG 25C38 26CD1 17.49 26CG 25C38 66N 50.02 26CG 25C38 67CA 65.74 26CG 25C38 67N 55.48 26CG 25C38 66CA 47.14 26CD1 25C38 66N 43.47 26CD1 25C38 67CA 78.32 26CD1 25C38 67N 64.92 26CD1 25C38 66CA 47.51 66N 25C38 67CA 62.18 66N 25C38 67N 45.30 66N 25C38 66CA 17.02 67CA 25C38 67N 17.03 67CA 25C38 66CA 45.35 67N 25C38 66CA 28.38 65CA 25C39 66N 38.23 65CA 25C39 66O 77.80 65CA 25C39 65C 20.22 65CA 25C39 26CD1 57.59 65CA 25C39 65N 12.86 65CA 25C39 23O 51.79 65CA 25C39 66CA 49.23 25SG 25C39 161O 71.00 25SG 25C39 26CD1 64.51 25SG 25C39 161C 75.18 25SG 25C39 23O 59.23 66N 25C39 66O 39.58 66N 25C39 65C 18.09 66N 25C39 26CD1 47.02 66N 25C39 65N 50.53 66N 25C39 23O 71.29 66N 25C39 66CA 11.02 66O 25C39 65C 57.60 66O 25C39 26CD1 57.39 66O 25C39 65N 89.89 66O 25C39 23O 96.66 66O 25C39 66CA 28.57 161O 25C39 161C 12.79 65C 25C39 26CD1 48.36 65C 25C39 65N 32.45 65C 25C39 23O 59.69 65C 25C39 66CA 29.05 26CD1 25C39 65N 60.85 26CD1 25C39 23O 40.56 26CD1 25C39 66CA 47.30 65N 25C39 23O 44.53 65N 25C39 66CA 61.43 23O 25C39 66CA 77.82 66N 25O40 65CA 49.46 66N 25O40 26CD1 65.76 66N 25O40 65C 23.27 66N 25O40 66O 49.28 66N 25O40 66CA 14.40 66N 25O40 26CG 63.42 66N 25O40 65N 61.07 66N 25O40 26NE1 58.78 66N 25O40 66C 34.93 66N 25O40 23O 92.25 66N 25O40 26CB 74.00 66N 25O40 65O 24.57 65CA 25O40 26CD1 79.08 65CA 25O40 65C 27.14 65CA 25O40 66O 98.43 65CA 25O40 66CA 63.57 65CA 25O40 26CG 90.14 65CA 25O40 65N 13.53 65CA 25O40 26NE1 63.17 65CA 25O40 66C 84.39 65CA 25O40 23O 63.91 65CA 25O40 65O 28.53 26CD1 25O40 65C 65.35 26CD1 25O40 25SG 80.06 26CD1 25O40 66O 75.51 26CD1 25O40 66CA 61.87 26CD1 25O40 26CG 17.43 26CD1 25O40 65N 76.84 26CD1 25O40 26NE1 16.20 26CD1 25O40 66C 66.92 26CD1 25O40 23O 50.44 26CD1 25O40 26CB 36.73 26CD1 25O40 65O 60.57 26CD1 25O40 26N 42.40 65C 25O40 66O 72.49 65C 25O40 66CA 36.77 65C 25O40 26CG 70.55 65C 25O40 65N 37.88 65C 25O40 26NE1 52.57 65C 25O40 66C 57.85 65C 25O40 23O 74.40 65C 25O40 26CB 86.99 65C 25O40 65O 4.93 25SG 25O40 26CG 82.32 25SG 25O40 26NE1 89.52 25SG 25O40 23O 68.61 25SG 25O40 26CB 75.26 25SG 25O40 26N 44.90 66O 25O40 66CA 36.06 66O 25O40 26CG 60.15 66O 25O40 26NE1 82.09 66O 25O40 66C 15.20 66O 25O40 26CB 51.97 66O 25O40 65O 73.07 66O 25O40 26N 81.84 66CA 25O40 26CG 55.19 66CA 25O40 65N 74.60 66CA 25O40 26NE1 59.26 66CA 25O40 66C 21.11 66CA 25O40 23O 98.28 66CA 25O40 26CB 62.10 66CA 25O40 65O 37.02 66CA 25O40 26N 91.86 26CG 25O40 65N 90.75 26CG 25O40 26NE1 31.46 26CG 25O40 66C 54.19 26CG 25O40 23O 67.47 26CG 25O40 26CB 20.67 26CG 25O40 65O 66.40 26CG 25O40 26N 38.44 65N 25O40 26NE1 60.66 65N 25O40 66C 95.71 65N 25O40 23O 52.18 65N 25O40 65O 37.84 26NE1 25O40 66C 70.37 26NE1 25O40 23O 42.57 26NE1 25O40 26CB 51.93 26NE1 25O40 65O 47.64 26NE1 25O40 26N 57.31 66C 25O40 26CB 52.36 66C 25O40 65O 58.10 66C 25O40 26N 83.81 23O 25O40 26CB 83.39 23O 25O40 65O 70.59 23O 25O40 26N 67.33 26CB 25O40 65O 83.51 26CB 25O40 26N 31.46 25SG 25N41 161O 86.79 25SG 25N41 161C 87.19 25SG 25N41 23O 62.77 25SG 25N41 66N 93.69 161O 25N41 161C 11.62 65CA 25N41 23O 51.79 65CA 25N41 65N 15.59 65CA 25N41 66N 29.14 23O 25N41 65N 44.44 23O 25N41 66N 64.51 65N 25N41 66N 44.25 25SG 25N42 23O 85.08 25SG 25N42 23CA 98.91 25SG 25N42 23C 83.87 25SG 25N42 161O 78.66 25SG 25N42 25CB 15.26 25SG 25N42 25N 39.74 25SG 25N42 26CD1 63.71 25SG 25N42 24N 72.85 23O 25N42 23CA 37.86 23O 25N42 23C 18.24 23O 25N42 65CA 60.94 23O 25N42 25CB 79.36 23O 25N42 65N 52.05 23O 25N42 25N 48.33 23O 25N42 26CD1 43.36 23O 25N42 24N 25.15 23CA 25N42 23C 22.71 23CA 25N42 65CA 87.12 23CA 25N42 25CB 85.89 23CA 25N42 65N 70.74 23CA 25N42 25N 60.69 23CA 25N42 26CD1 80.64 23CA 25N42 24N 29.02 23C 25N42 65CA 77.61 23C 25N42 25CB 74.03 23C 25N42 65N 65.78 23C 25N42 25N 44.16 23C 25N42 26CD1 58.52 23C 25N42 24N 11.74 65CA 25N42 65N 18.58 65CA 25N42 25N 98.97 65CA 25N42 26CD1 51.99 65CA 25N42 24N 86.08 161O 25N42 25CB 84.39 25CB 25N42 25N 31.12 25CB 25N42 26CD1 68.91 25CB 25N42 24N 62.41 65N 25N42 25N 97.62 65N 25N42 26CD1 59.56 65N 25N42 24N 76.12 25N 25N42 26CD1 50.78 25N 25N42 24N 33.18 26CD1 25N42 24N 57.77 66O 25N43 66N 50.46 66O 25N43 66C 15.63 66O 25N43 66CA 35.78 66O 25N43 65CA 83.97 66O 25N43 65C 66.03 66O 25N43 67CZ 75.44 66O 25N43 67CE2 67.55 66O 25N43 67CE1 68.04 66O 25N43 67N 16.30 66N 25N43 66C 39.54 66N 25N43 66CA 19.49 66N 25N43 65CA 35.70 66N 25N43 65C 15.67 66N 25N43 67CE2 84.94 66N 25N43 67N 47.36 66C 25N43 66CA 21.89 66C 25N43 65CA 75.04 66C 25N43 65C 55.08 66C 25N43 67CZ 72.67 66C 25N43 67CE2 61.03 66C 25N43 67CE1 69.65 66C 25N43 67N 8.63 66CA 25N43 65CA 54.94 66CA 25N43 65C 34.13 66CA 25N43 67CZ 83.41 66CA 25N43 67CE2 68.23 66CA 25N43 67CE1 85.39 66CA 25N43 67N 28.69 65CA 25N43 65C 21.08 65CA 25N43 67N 83.04 65C 25N43 67CE2 93.39 65C 25N43 67N 62.65 67CZ 25N43 67CE2 16.72 67CZ 25N43 67CE1 16.22 67CZ 25N43 67N 64.53 67CE2 25N43 67CE1 28.45 67CE2 25N43 67N 53.83 67CE1 25N43 67N 61.03

TABLE XV Table of angles between atoms of the inhibitor and protein for all protein atoms within 5 Angstroms of the inhibitor 2-[N-(3- benzyloxybenzoyl))]-2′-[N′-(N-benzyloxycarbonyl-L- leucinyl)]carbohydrazide. Atom 1 Atom 2 Atom 3 Angle Atom 1 Atom 2 Atom 3 Angle 184CD1 25C1 184CB 39.64 184CD1 25C1 184CG 20.72 184CD1 25C1 184O 79.67 184CD1 25C1 18OD1 92.08 184CD1 25C1 184CA 45.35 184CD1 25C1 184C 65.97 184CD1 25C1 18CG 95.35 184CD1 25C1 20O 95.11 184CD1 25C1 184NE1 15.46 184CD1 25C1 184CD2 28.37 184CB 25C1 184CG 22.78 184CB 25C1 184O 43.71 184CB 25C1 18OD1 91.44 184CB 25C1 184CA 22.80 184CB 25C1 18ND2 86.39 184CB 25C1 184C 35.31 184CB 25C1 18CG 84.04 184CB 25C1 184NE1 51.55 184CB 25C1 184CD2 34.26 184CG 25C1 184O 66.36 184CG 25C1 184CA 38.32 184CG 25C1 184C 56.18 184CG 25C1 18CG 98.73 184CG 25C1 184NE1 29.35 184CG 25C1 184CD2 15.76 184O 25C1 18OD1 69.22 184O 25C1 184CA 35.76 184O 25C1 18ND2 48.03 184O 25C1 184C 16.21 184O 25C1 18CG 54.71 184O 25C1 184NE1 93.86 184O 25C1 184CD2 77.07 18OD1 25C1 184CA 68.65 18OD1 25C1 18ND2 32.37 18OD1 25C1 184C 63.21 18OD1 25C1 18CG 16.11 18OD1 25C1 20O 62.46 184CA 25C1 18ND2 67.26 184CA 25C1 184C 20.72 184CA 25C1 18CG 62.00 184CA 25C1 184NE1 60.54 184CA 25C1 184CD2 53.33 18ND2 25C1 184C 51.16 18ND2 25C1 18CG 17.75 18ND2 25C1 20O 89.83 184C 25C1 18CG 51.58 184C 25C1 184NE1 80.98 184C 25C1 184CD2 69.47 18CG 25C1 20O 77.96 20O 25C1 184NE1 90.38 184NE1 25C1 184CD2 28.12 18OD1 25C2 184CA 82.66 18OD1 25C2 20O 82.02 18OD1 25C2 18CG 17.46 18OD1 25C2 20N 42.19 18OD1 25C2 18ND2 35.11 18OD1 25C2 184O 74.48 18OD1 25C2 19CG 79.73 18OD1 25C2 184C 70.99 18OD1 25C2 183O 67.05 18OD1 25C2 20CA 48.76 18OD1 25C2 20C 68.51 18OD1 25C2 19N 41.49 18OD1 25C2 184N 80.79 18OD1 25C2 19C 47.49 18OD1 25C2 183C 74.42 18OD1 25C2 18CB 20.67 184CD1 25C2 184CA 49.69 184CD1 25C2 184CG 20.47 184CD1 25C2 184CB 40.02 184CD1 25C2 184O 80.18 184CD1 25C2 19CG 63.56 184CD1 25C2 184C 69.76 184CD1 25C2 184NE1 15.99 184CD1 25C2 183O 53.74 184CD1 25C2 19N 85.37 184CD1 25C2 184N 44.38 184CD1 25C2 184CD2 23.21 184CD1 25C2 183C 46.49 184CA 25C2 18CG 70.97 184CA 25C2 184CG 39.55 184CA 25C2 18ND2 72.06 184CA 25C2 184CB 22.96 184CA 25C2 184O 35.00 184CA 25C2 19CG 83.11 184CA 25C2 184C 20.65 184CA 25C2 184NE1 65.57 184CA 25C2 183O 40.23 184CA 25C2 19N 70.98 184CA 25C2 184N 13.04 184CA 25C2 184CD2 51.91 184CA 25C2 183C 28.28 184CA 25C2 18CB 62.55 20O 25C2 18CG 98.28 20O 25C2 20N 45.78 20O 25C2 19CG 69.54 20O 25C2 20CA 33.26 20O 25C2 20C 13.52 20O 25C2 19N 80.94 20O 25C2 241OH2 94.87 20O 25C2 19C 50.12 18CG 25C2 20N 59.60 18CG 25C2 18ND2 19.96 18CG 25C2 184CB 91.12 18CG 25C2 184O 57.44 18CG 25C2 19CG 91.35 18CG 25C2 184C 56.05 18CG 25C2 183O 66.77 18CG 25C2 20CA 65.32 18CG 25C2 20C 84.82 18CG 25C2 19N 51.19 18CG 25C2 184N 72.42 18CG 25C2 19C 64.04 18CG 25C2 183C 70.48 18CG 25C2 18CB 11.35 184CG 25C2 184CB 22.17 184CG 25C2 184O 63.20 184CG 25C2 19CG 82.47 184CG 25C2 184C 56.51 184CG 25C2 184NE1 31.65 184CG 25C2 183O 60.77 184CG 25C2 19N 95.86 184CG 25C2 184N 40.46 184CG 25C2 184CD2 12.76 184CG 25C2 183C 49.79 20N 25C2 18ND2 76.27 20N 25C2 19CG 52.54 20N 25C2 183O 72.94 20N 25C2 20CA 19.39 20N 25C2 20C 34.03 20N 25C2 19N 38.18 20N 25C2 184N 99.39 20N 25C2 19C 11.58 20N 25C2 183C 85.38 20N 25C2 18CB 59.41 18ND2 25C2 184CB 87.16 18ND2 25C2 184O 47.43 18ND2 25C2 184C 52.81 18ND2 25C2 183O 80.93 18ND2 25C2 20CA 77.11 18ND2 25C2 20C 94.81 18ND2 25C2 19N 70.92 18ND2 25C2 184N 77.97 18ND2 25C2 241OH2 87.90 18ND2 25C2 19C 82.49 18ND2 25C2 183C 81.11 18ND2 25C2 18CB 28.59 184CB 25C2 184O 41.08 184CB 25C2 19CG 93.42 184CB 25C2 184C 35.36 184CB 25C2 184NE1 53.47 184CB 25C2 183O 58.06 184CB 25C2 19N 92.03 184CB 25C2 184N 30.81 184CB 25C2 241OH2 98.67 184CB 25C2 184CD2 32.23 184CB 25C2 183C 45.37 184CB 25C2 18CB 84.11 184O 25C2 184C 16.82 184O 25C2 184NE1 94.48 184C 25C2 183O 69.02 184O 25C2 19N 87.53 184O 25C2 184N 47.05 184O 25C2 241OH2 86.44 184C 25C2 184CD2 71.78 184O 25C2 183C 59.90 184O 25C2 18CB 55.54 19CG 25C2 184C 97.61 19CG 25C2 184NE1 62.79 19CG 25C2 183O 45.36 19CG 25C2 20CA 67.99 19CG 25C2 20C 68.52 19CG 25C2 19N 40.19 19CG 25C2 184N 70.06 19CG 25C2 19C 41.14 19CG 25C2 184CD2 86.47 19CG 25C2 183C 55.31 19CG 25C2 18CB 82.88 184C 25C2 184NE1 85.37 184C 25C2 183O 52.27 184C 25C2 19N 73.95 184C 25C2 184N 31.18 184C 25C2 184CD2 67.55 184C 25C2 183C 43.16 184C 25C2 18CB 50.40 184NE1 25C2 183O 65.82 184NE1 25C2 19N 93.08 184NE1 25C2 184N 60.22 184NE1 25C2 184CD2 27.19 184NE1 25C2 183C 60.67 183O 25C2 20CA 92.25 183O 25C2 19N 35.35 183O 25C2 184N 28.06 183O 25C2 19C 63.84 183O 25C2 184CD2 71.98 183O 25C2 183C 12.70 183O 25C2 18CB 55.43 2DCA 25C2 20C 19.77 20CA 25C2 19N 57.18 20CA 25C2 19C 29.86 20CA 25C2 18CB 69.00 20C 25C2 19N 71.24 20C 25C2 241OH2 99.96 20C 25C2 19C 40.54 20C 25C2 18CB 88.76 19N 25C2 184N 61.22 19N 25C2 19C 30.91 19N 25C2 183C 47.43 19N 25C2 18CB 42.94 184N 25C2 19C 91.32 184N 25C2 184CD2 53.18 184N 25C2 183C 15.60 184N 25C2 18CB 62.40 241OH2 25C2 184CD2 94.01 19C 25C2 183C 76.51 19C 25C2 18CB 61.35 184CD2 25C2 183C 61.73 183C 25C2 18CB 59.34 20O 25C3 19CG 91.80 20O 25C3 20N 53.46 20O 25C3 18OD1 84.67 20O 25C3 20C 13.71 20O 25C3 20CA 35.80 20O 25C3 19CD 97.07 20O 25C3 19C 58.10 20O 25C3 19N 89.89 20O 25C3 19CB 82.19 20O 25C3 18CG 93.78 20O 25C3 19CA 76.43 20O 25C3 19NE2 84.73 20O 25C3 21N 7.78 184CD1 25C3 19CG 71.43 184CD1 25C3 184NE1 19.86 184CD1 25C3 19CD 64.18 184CD1 25C3 184CG 15.82 184CD1 25C3 183O 49.75 184CD1 25C3 19N 83.17 184CD1 25C3 184CA 39.91 184CD1 25C3 19CB 82.78 184CD1 25C3 18CG 94.02 184CD1 25C3 19CA 92.64 184CD1 25C3 19NE2 76.30 184CD1 25C3 184CB 30.78 184CD1 25C3 19OE1 50.83 184CD1 25C3 184CE2 22.67 19CG 25C3 20N 61.01 19CG 25C3 18OD1 81.71 19CG 25C3 20C 85.09 19CG 25C3 184NE1 72.26 19CG 25C3 20CA 79.11 19CG 25C3 19CD 19.52 19CG 25C3 184CG 85.19 19CG 25C3 19C 46.68 19CG 25C3 183O 45.20 19CG 25C3 19N 40.95 19CG 25C3 184CA 79.09 19CG 25C3 19CB 14.28 19CG 25C3 18CG 86.69 19CG 25C3 19CA 32.54 19CG 25C3 19NE2 29.74 19CG 25C3 184CB 89.69 19CG 25C3 19OE1 27.37 19CG 25C3 21N 86.08 19CG 25C3 184CE2 83.99 20N 25C3 18OD1 41.77 20N 25C3 20C 39.98 20N 25C3 20CA 21.31 20N 25C3 19CD 78.54 20N 25C3 19C 14.86 20N 25C3 183O 71.47 20N 25C3 19N 37.66 20N 25C3 184CA 95.61 20N 25C3 19CB 46.74 20N 25C3 18CG 52.23 20N 25C3 19CA 30.40 20N 25C3 19NE2 78.92 20N 25C3 19OE1 88.38 20N 25C3 21N 45.77 18OD1 25C3 20C 71.90 18OD1 25C3 20CA 50.00 18OD1 25C3 184CG 95.90 18OD1 25C3 19C 51.61 18OD1 25C3 183O 58.74 18OD1 25C3 19N 40.87 18OD1 25C3 184CA 63.14 18OD1 25C3 19CB 70.42 18OD1 25C3 18CG 10.53 18OD1 25C3 19CA 52.41 18OD1 25C3 184CB 79.52 18OD1 25C3 21N 78.64 20C 25C3 20CA 22.29 20C 25C3 19CD 94.40 20C 25C3 19C 46.10 20C 25C3 19N 77.00 20C 25C3 19CB 73.57 20C 25C3 18CG 81.47 20C 25C3 19CA 64.92 20C 25C3 19NE2 84.78 20C 25C3 21N 6.74 184NE1 25C3 19CD 58.87 184NE1 25C3 184CG 31.08 184NE1 25C3 183O 64.98 184NE1 25C3 19N 95.87 184NE1 25C3 184CA 59.73 184NE1 25C3 19CB 85.90 184NE1 25C3 19NE2 66.72 184NE1 25C3 184CB 48.57 184NE1 25C3 19OE1 46.24 184NE1 25C3 184CE2 11.83 20CA 25C3 19CD 94.19 20CA 25C3 19C 33.03 20CA 25C3 183O 92.18 20CA 25C3 19N 58.66 20CA 25C3 19CB 65.28 20CA 25C3 18CG 59.95 20CA 25C3 19CA 51.05 20CA 25C3 19NE2 90.04 20CA 25C3 21N 28.97 19CD 25C3 184CG 79.74 19CD 25C3 19C 63.74 19CD 25C3 183O 55.90 19CD 25C3 19N 60.04 19CD 25C3 184CA 84.73 19CD 25C3 19CB 32.93 19CD 25C3 19CA 51.74 19CD 25C3 19NE2 15.91 19CD 25C3 184CB 89.68 19CD 25C3 190E1 13.39 19CD 25C3 21N 93.33 19CD 25C3 184CE2 70.59 184CG 25C3 183O 54.91 184CG 25C3 19N 88.52 184CG 25C3 184CA 32.83 184CG 25C3 19CB 95.04 184CG 25C3 18CG 87.10 184CG 25C3 19NE2 92.12 184CG 25C3 184CB 17.79 184CG 25C3 190E1 66.46 184CG 25C3 184CE2 27.27 19C 25C3 183O 65.15 19C 25C3 19N 32.44 19C 25C3 184CA 94.94 19C 25C3 19CB 32.53 19C 25C3 18CG 61.42 19C 25C3 19CA 18.94 19C 25C3 19NE2 64.39 19C 25C3 19OE1 73.97 19C 25C3 21N 50.41 183O 25C3 19N 33.87 183O 25C3 184CA 35.08 183O 25C3 19CB 47.01 183O 25C3 18CG 56.73 183O 25C3 19CA 47.13 183O 25C3 19NE2 71.34 183O 25C3 184CB 50.06 183O 25C3 19OE1 50.42 183O 25C3 184CE2 72.00 19N 25C3 184CA 62.75 19N 25C3 19CB 31.18 19N 25C3 18CG 46.02 19N 25C3 19CA 17.94 19N 25C3 19NE2 69.90 19N 25C3 184CB 80.68 19N 25C3 19OE1 63.48 19N 25C3 21N 82.11 184CA 25C3 19CB 82.09 184CA 25C3 18CG 54.80 184CA 25C3 19CA 79.48 184CA 25C3 184CB 18.58 184CA 25C3 19OE1 74.55 184CA 25C3 184CE2 59.43 19CB 25C3 18CG 76.90 19CB 25C3 19CA 18.91 19CB 25C3 19NE2 39.32 19CB 25C3 184CB 95.96 19CB 25C3 19OE1 41.65 19CB 25C3 21N 75.62 19CB 25C3 184CE2 97.49 18CG 25C3 19CA 59.97 18CG 25C3 184CB 70.15 18CG 25C3 21N 88.18 19CA 25C3 19NE2 57.54 19CA 25C3 184CB 96.61 19CA 25C3 19OE1 59.34 19CA 25C3 21N 68.88 19NE2 25C3 19OE1 26.89 19NE2 25C3 21N 82.33 19NE2 25C3 184CE2 77.62 184CB 25C3 19OE1 77.28 184CB 25C3 184CE2 44.87 19OE1 25C3 184CE2 58.06 20O 25C4 20C 5.29 20O 25C4 19CG 73.30 20O 25C4 20N 37.40 20O 25C4 20CA 22.70 20O 25C4 19CD 84.35 20O 25C4 18OD1 61.35 20O 25C4 19NE2 78.63 184CD1 25C4 184NE1 19.87 184CD1 25C4 19CG 58.10 184CD1 25C4 20N 90.23 184CD1 25C4 184CG 14.72 184CD1 25C4 19CD 55.97 184CD1 25C4 184CE2 27.01 184CD1 25C4 18OD1 75.63 184CD1 25C4 19NE2 69.64 184NE1 25C4 19CG 63.14 184NE1 25C4 184CG 28.26 184NE1 25C4 19CD 53.91 184NE1 25C4 184CE2 14.23 184NE1 25C4 18OD1 94.59 184NE1 25C4 19NE2 63.81 20C 25C4 19CG 69.98 20C 25C4 20N 32.25 20C 25C4 20CA 17.47 20C 25C4 19CD 82.18 20C 25C4 18OD1 56.22 20C 25C4 19NE2 77.77 19CG 25C4 20N 46.51 19CG 25C4 184CG 71.25 19CG 25C4 20CA 62.49 19CG 25C4 19CD 18.45 19CG 25C4 184CE2 77.31 19CG 25C4 18OD1 59.85 19CG 25C4 19NE2 29.19 20N 25C4 184CG 96.60 20N 25C4 20CA 17.63 20N 25C4 19CD 63.68 20N 25C4 18OD1 30.95 20N 25C4 19NE2 67.31 184CG 25C4 19CD 70.61 184CG 25C4 184CE2 27.62 184CG 25C4 18OD1 75.70 184CG 25C4 241OH2 87.84 184CG 25C4 19NE2 84.36 20CA 25C4 19CD 78.25 20CA 25C4 18OD1 38.85 20CA 25C4 241OH2 97.61 20CA 25C4 19NE2 78.54 19CD 25C4 184CE2 67.82 19CD 25C4 18OD1 78.00 19CD 25C4 19NE2 15.45 184CE2 25C4 241OH2 99.63 184CE2 25C4 19NE2 76.63 18OD1 25C4 241OH2 82.91 18OD1 25C4 19NE2 87.95 20O 25C5 184CD1 97.18 184CD1 25C5 184NE1 18.35 184CD1 25C5 184CG 16.64 184CD1 25C5 184CE2 27.73 184CD1 25C5 184CD2 26.39 184NE1 25C5 184CG 28.44 184NE1 25C5 184CE2 16.30 184NE1 25C5 184CD2 26.54 184CG 25C5 184CE2 27.87 184CG 25C5 184CD2 16.56 184CE2 25C5 184CD2 16.34 184CD1 25C6 184CG 18.54 184CD1 25C6 184CB 33.62 184CD1 25C6 184NE1 17.14 184CD1 25C6 20O 88.08 184CD1 25C6 184CD2 28.33 184CD1 25C6 184CE2 26.95 184CG 25C6 184CB 19.13 184CG 25C6 184NE1 29.00 184CG 25C6 184CD2 17.43 184CG 25C6 184CE2 27.74 184CB 25C6 184NE1 47.54 184CB 25C6 184CD2 32.76 184CB 25C6 184CE2 46.38 184NE1 25C6 20O 88.62 184NE1 25C6 184CD2 27.82 184NE1 25C6 184CE2 16.20 184CD2 25C6 184CE2 16.68 20O 25C7 20C 5.94 20O 25C7 19NE2 91.02 20O 25C7 19CG 72.12 20O 25C7 19CD 89.31 20O 25C7 21CA 34.14 20O 25C7 22O 65.12 20O 25C7 21N 17.69 20O 25C7 21C 46.47 20C 25C7 19NE2 86.13 20C 25C7 19CG 69.33 20C 25C7 19CD 85.63 20C 25C7 21CA 31.54 20C 25C7 22O 59.23 20C 25C7 21N 14.16 20C 25C7 21C 42.01 19NE2 25C7 19CG 32.17 19NE2 25C7 184NE1 66.44 19NE2 25C7 19CD 17.05 19NE2 25C7 21CA 93.37 19NE2 25C7 22O 37.10 19NE2 25C7 184CD1 69.09 19NE2 25C7 21N 87.99 19NE2 25C7 21C 79.11 19CG 25C7 184NE1 58.99 19CG 25C7 19CD 19.56 19CG 25C7 21CA 91.19 19CG 25C7 22O 50.36 19CG 25C7 184CD1 52.04 19CG 25C7 21N 77.89 19CG 25C7 21C 84.98 184NE1 25C7 19CD 53.40 184NE1 25C7 184CD1 16.66 19CD 25C7 22O 49.22 19CD 25C7 184CD1 53.17 19CD 25C7 21N 91.50 19CD 25C7 21C 90.15 21CA 25C7 22O 56.87 21CA 25C7 21N 17.50 21CA 25C7 21C 18.03 22O 25C7 21N 55.41 22O 25C7 21C 42.02 21N 25C7 21C 28.94 19NE2 25O8 19CD 20.48 19NE2 25O8 184NE1 81.39 19NE2 25O8 20O 89.30 19NE2 25O8 19CG 35.60 19NE2 25O8 19OE1 30.68 19NE2 25O8 22O 40.85 19NE2 25O8 184CD1 79.20 19NE2 25O8 184CE2 92.69 19CD 25O8 184NE1 63.10 19CD 25O8 20O 86.55 19CD 25O8 19CG 21.39 19CD 25O8 190E1 15.46 19CD 25O8 22O 55.33 19CD 25O8 184CD1 58.99 19CD 25O8 184CE2 75.44 184NE1 25O8 19CG 65.39 184NE1 25O8 19OE1 50.75 184NE1 25O8 184CD1 16.57 184NE1 25O8 184CE2 13.19 20O 25O8 19CG 66.59 20O 25O8 19OE1 99.26 20O 25O8 22O 62.20 20O 25O8 184CD1 90.68 19CG 25O8 19OE1 32.68 19CG 25O8 22O 53.93 19CG 25O8 184CD1 54.99 19CG 25O8 184CE2 78.58 19OE1 25O8 22O 69.68 19OE1 25O8 184CD1 50.54 19OE1 25O8 184CE2 62.13 184CD1 25O8 184CE2 26.99 19NE2 25C9 184NE1 68.02 19NE2 25C9 19CD 15.81 184NE1 25C9 19CD 52.53 162ND1 25C11 184CZ2 58.70 162ND1 25C11 162CE1 15.57 184CZ2 25C11 162CE1 49.86 162ND1 25C14 162CG 20.80 162ND1 25C14 162CB 38.90 162ND1 25C14 162CE1 17.70 162ND1 25C14 162CA 43.05 162ND1 25C14 161O 71.97 162ND1 25C14 184CZ2 66.72 162ND1 25C14 162CD2 25.28 162ND1 25C14 161OD1 87.80 162ND1 25C14 162N 60.63 162ND1 25C14 162NE2 23.20 162ND1 25C14 161C 71.88 162ND1 25C14 25SG 43.89 162CG 25C14 162CB 21.88 162CG 25C14 162CE1 32.41 162CG 25C14 162CA 35.32 162CG 25C14 161O 70.65 162CG 25C14 184CZ2 61.27 162CG 25C14 162CD2 14.29 162CG 25C14 161OD1 69.93 162CG 25C14 162N 50.52 162CG 25C14 162NE2 26.85 162CG 25C14 161C 65.13 162CG 25C14 25SG 60.65 162CB 25C14 162CE1 53.68 162CB 25C14 162CA 20.45 162CB 25C14 161O 55.44 162CB 25C14 184CZ2 75.70 162CB 25C14 162CD2 33.63 162CB 25C14 161OD1 49.02 162CB 25C14 162N 30.67 162CB 25C14 162NE2 48.52 162CB 25C14 161C 46.38 162CB 25C14 25SG 66.67 162CE1 25C14 162CA 60.62 162CE1 25C14 161O 88.83 162CE1 25C14 184CZ2 55.07 162CE1 25C14 162CD2 27.92 162CE1 25C14 162N 78.11 162CE1 25C14 162NE2 14.38 162CE1 25C14 161C 89.56 162CE1 25C14 255G 51.14 162CA 25C14 161O 35.99 162CA 25C14 184CZ2 94.99 162CA 25C14 162CD2 49.43 162CA 25C14 161OD1 50.42 162CA 25C14 162N 17.63 162CA 25C14 162NE2 60.81 162CA 25C14 161C 30.12 162CA 25C14 25SG 53.36 161O 25C14 162CD2 84.93 161O 25C14 161OD1 54.15 161O 25C14 162N 27.79 161O 25C14 162NE2 93.77 161O 25C14 161C 14.72 161O 25C14 25SG 53.31 184CZ2 25C14 162CD2 47.18 184CZ2 25C14 161OD1 98.34 184CZ2 25C14 162NE2 43.71 162CD2 25C14 161OD1 77.69 162CD2 25C14 162N 63.80 162CD2 25C14 162NE2 16.69 162CD2 25C14 161C 78.91 162CD2 25C14 25SG 69.06 161OD1 25C14 162N 36.11 161OD1 25C14 162NE2 94.34 161OD1 25C14 161C 39.94 162N 25C14 162NE2 77.07 162N 25C14 161C 15.92 162N 25C14 25SG 64.86 162NE2 25C14 161C 90.92 162NE2 25C14 25SG 64.04 161C 25C14 25SG 63.90 162CB 25O15 162ND1 47.26 162CB 25O15 162CG 27.43 162CB 25O15 161OD1 63.34 162CB 25O15 162CA 23.06 162CB 25O15 162CE1 60.10 162CB 25O15 162CD2 40.37 162CB 25O15 162N 35.92 162CB 25O15 184CZ2 91.76 162CB 25O15 162NE2 55.17 162CB 25O15 161C 52.53 162CB 25O15 161O 60.45 162CB 25O15 137CB 54.06 162CB 25O15 161CG 69.17 162CB 25O15 137O 87.23 162CB 25O15 161CB 73.81 162CB 25O15 184CH2 88.25 162ND1 25O15 162CG 25.12 162ND1 25O15 162CA 49.83 162ND1 25O15 162CE1 16.98 162ND1 25O15 162CD2 32.89 162ND1 25O15 162N 70.32 162ND1 25O15 184CZ2 74.09 162ND1 25O15 162NE2 26.96 162ND1 25O15 161C 78.97 162ND1 25O15 161O 74.28 162ND1 25O15 137CB 88.45 162ND1 25O15 184CH2 81.61 162CG 25O15 161OD1 90.25 162CG 25O15 162CA 41.57 162CG 25O15 162CE1 33.66 162CG 25O15 162CD2 17.25 162CG 25O15 162N 60.35 162CG 25O15 184CZ2 70.97 162CG 25O15 162NE2 28.08 162CG 25O15 161C 74.63 162CG 25O15 161O 77.02 162CG 25O15 137CB 63.77 162CG 25O15 161CG 96.60 162CG 25O15 137O 97.22 162CG 25O15 184CH2 72.59 161OD1 25O15 162CA 61.62 161OD1 25O15 162CD2 98.29 161OD1 25O15 162N 43.32 161OD1 25O15 161C 45.80 161OD1 25O15 161O 60.74 161OD1 25O15 137CB 55.90 161OD1 25O15 161CG 11.21 161OD1 25O15 137O 59.03 161OD1 25O15 161CB 28.61 162CA 25O15 162CE1 66.36 162CA 25O15 162CD2 58.17 162CA 25O15 162N 20.56 162CA 25O15 162NE2 68.37 162CA 25O15 161C 33.06 162CA 25O15 161O 37.86 162CA 25O15 137CB 73.81 162CA 25O15 161CG 62.82 162CA 25O15 161CB 60.45 162CE1 25O15 162CD2 31.95 162CE1 25O15 162N 86.92 162CE1 25O15 184CZ2 59.12 162CE1 25O15 162NE2 17.11 162CE1 25O15 161C 95.94 162CE1 25O15 161O 90.42 162CE1 25O15 137CB 90.07 162CE1 25O15 184CH2 68.68 162CD2 25O15 162N 75.70 162CD2 25O15 184CZ2 53.94 162CD2 25O15 162NE2 17.99 162CD2 25O15 161C 91.05 162CD2 25O15 161O 94.26 162CD2 25O15 137CB 58.26 162CD2 25O15 137O 88.29 162CD2 25O15 184CH2 55.47 162N 25O15 162NE2 88.07 162N 25O15 161C 17.35 162N 25O15 161O 30.00 162N 25O15 137CB 72.58 162N 25O15 161CG 42.77 162N 25O15 137O 95.02 162N 25O15 161CB 40.21 184CZ2 25O15 162NE2 47.88 184CZ2 25O15 137CB 69.04 184CZ2 25O15 137O 71.73 184CZ2 25O15 184CH2 14.31 162NE2 25O15 161O 99.69 162NE2 25O15 137CB 74.12 162NE2 25O15 184CH2 54.65 161C 25O15 161O 15.92 161C 25O15 137CB 87.40 161C 25O15 161CG 40.49 161C 25O15 161CB 30.37 161O 25O15 161CG 53.91 161O 25O15 161CB 39.98 137CB 25O15 161CG 67.10 137CB 25O15 137O 34.26 137CB 25O15 161CB 84.07 137CB 25O15 184CH2 56.32 161CG 25O15 137O 67.49 161CG 25O15 161CB 17.89 137O 25O15 161CB 84.60 137O 25O15 184CH2 57.69 162ND1 25N16 25SG 57.00 162ND1 25N16 161O 81.16 162ND1 25N16 162CE1 17.28 162ND1 25N16 162CG 17.24 162ND1 25N16 162CA 44.41 162ND1 25N16 162CB 35.55 162ND1 25N16 161C 76.08 162ND1 25N16 25CB 47.59 162ND1 25N16 162N 61.35 162ND1 25N16 19NE2 78.00 25SG 25N16 161O 66.73 25SG 25N16 162CE1 60.44 25SG 25N16 162CG 69.41 25SG 25N16 162CA 62.55 25SG 25N16 162CB 74.95 25SG 25N16 161C 75.51 25SG 25N16 25CB 22.32 25SG 25N16 162N 74.12 25SG 25N16 19NE2 65.05 161O 25N16 162CE1 97.79 161O 25N16 162CG 74.22 161O 25N16 162CA 38.96 161O 25N16 162CB 57.51 161O 25N16 161C 14.31 161O 25N16 25CB 86.73 161O 25N16 162N 28.02 162CE1 25N16 162CG 31.36 162CE1 25N16 162CA 61.69 162CE1 25N16 162CB 51.34 162CE1 25N16 161C 93.35 162CE1 25N16 25CB 44.14 162CE1 25N16 162N 78.58 162CE1 25N16 19NE2 62.97 162CG 25N16 162CA 35.27 162CG 25N16 162CB 20.22 162CG 25N16 161C 65.76 162CG 25N16 25CB 63.85 162CG 25N16 162N 49.75 162CG 25N16 19NE2 94.18 162CA 25N16 162CB 20.52 162CA 25N16 161C 31.69 162CA 25N16 25CB 71.57 162CA 25N16 162N 17.61 162CB 25N16 161C 47.01 162CB 25N16 25CB 76.68 162CB 25N16 162N 30.74 161C 25N16 25CB 92.93 161C 25N16 162N 16.27 25CB 25N16 162N 87.03 25CB 25N16 19NE2 47.50 25SG 25N17 162ND1 74.24 25SG 25N17 162CA 87.90 25SG 25N17 162CG 86.46 25SG 25N17 162CB 97.30 25SG 25N17 25CB 24.15 25SG 25N17 162CE1 70.19 25SG 25N17 163N 54.13 25SG 25N17 162C 71.67 25SG 25N17 162CD2 84.79 161O 25N17 162CA 52.13 161O 25N17 161O 16.50 161O 25N17 162CG 92.62 161O 25N17 162CB 71.30 161O 25N17 162N 34.71 161O 25N17 163N 65.25 161O 25N17 162C 55.77 161O 25N17 161CA 17.53 162ND1 25N17 162CA 56.42 162ND1 25N17 161C 95.91 162ND1 25N17 162CG 18.78 162ND1 25N17 162CB 41.07 162ND1 25N17 162N 76.00 162ND1 25N17 25CB 57.57 162ND1 25N17 162CE1 14.79 162ND1 25N17 163N 54.56 162ND1 25N17 162C 55.20 162ND1 25N17 162CD2 12.12 162CA 25N17 161C 40.29 162CA 25N17 162CG 41.09 162CA 25N17 162CB 23.23 162CA 25N17 162N 21.53 162CA 25N17 25CB 91.56 162CA 25N17 162CE1 71.02 162CA 25N17 163N 33.82 162CA 25N17 162C 16.39 162CA 25N17 161CA 50.27 162CA 25N17 162CD2 49.51 161C 25N17 162CG 78.57 161C 25N17 162CB 56.40 161C 25N17 162N 19.96 161C 25N17 163N 62.31 161C 25N17 162C 48.62 161C 25N17 161CA 10.96 161C 25N17 162CD2 87.05 162CG 25N17 162CB 22.57 162CG 25N17 162N 58.64 162CG 25N17 25CB 73.95 162CG 25N17 162CE1 33.00 162CG 25N17 163N 51.02 162CG 25N17 162C 44.96 162CG 25N17 161CA 86.42 162CG 25N17 162CD2 8.55 162CB 25N17 162N 36.69 162CB 25N17 25CB 91.50 162CB 25N17 162CE1 55.54 162CB 25N17 163N 48.31 162CB 25N17 162C 34.62 162CB 25N17 161CA 63.87 162CB 25N17 162CD2 30.83 162N 25N17 162CE1 90.79 162N 25N17 163N 50.48 162N 25N17 162C 33.85 162N 25N17 161CA 29.03 162N 25N17 162CD2 67.15 25CB 25N17 162CE1 49.52 25CB 25N17 163N 61.60 25CB 25N17 162C 77.64 25CB 25N17 162CD2 69.50 162CE1 25N17 163N 64.51 162CE1 25N17 162C 68.30 162CE1 25N17 162CD2 25.14 163N 25N17 162C 17.55 163N 25N17 161CA 73.19 163N 25N17 162CD2 56.08 162C 25N17 161CA 59.51 162C 25N17 162CD2 52.20 161CA 25N17 162CD2 94.68 184NE1 25C18 19NE2 72.19 184NE1 25C18 184CZ2 34.15 184NE1 25C18 162ND1 64.76 184NE1 25C18 162CE1 49.26 184NE1 25C18 19CD 55.65 184NE1 25C18 19OE1 48.22 184NE1 25C18 184CE2 16.77 19NE2 25C18 162ND1 74.92 19NE2 25C18 162CE1 65.60 19NE2 25C18 19CD 16.66 19NE2 25C18 19OE1 29.19 19NE2 25C18 184CE2 88.46 184CZ2 25C18 162ND1 61.13 184CZ2 25C18 162CE1 54.08 184CZ2 25C18 19CD 87.16 184CZ2 25C18 19OE1 75.81 184CZ2 25C18 184CE2 17.74 162ND1 25C18 162CE1 17.06 162ND1 25C18 19CD 67.56 162ND1 25C18 19OE1 52.95 162ND1 25C18 184CE2 64.20 162CE1 25C18 19CD 54.80 162CE1 25C18 19OE1 39.41 162CE1 25C18 184CE2 52.06 19CD 25C18 19OE1 15.45 19CD 25C18 184CE2 71.81 19OE1 25C18 184CE2 62.64 25SG 25C19 25CB 30.92 25SG 25C19 161O 96.60 25SG 25C19 162ND1 68.37 25SG 25C19 25N 49.94 25SG 25C19 25CA 32.83 25SG 25C19 23O 90.89 25SG 25C19 162CE1 65.52 25SG 25C19 162CA 73.52 25SG 25C19 19NE2 86.96 25SG 25C19 23C 92.63 25SG 25C19 163N 42.91 25SG 25C19 161C 94.64 25SG 25C19 162CG 71.57 25SG 25C19 19OE1 68.21 25SG 25C19 25C 20.12 25SG 25C19 26N 28.60 25CB 25C19 162ND1 59.73 25CB 25C19 25N 36.66 25CB 25C19 25CA 17.74 25CB 25C19 23O 86.02 25CB 25C19 162CE1 48.75 25CB 25C19 162CA 86.55 25CB 25C19 19NE2 56.95 25CB 25C19 23C 79.82 25CB 25C19 163N 62.99 25CB 25C19 23CA 90.53 25CB 25C19 162CG 68.32 25CB 25C19 19OE1 37.70 25CB 25C19 25C 26.97 25CB 25C19 26N 42.42 161O 25C19 162ND1 80.02 161O 25C19 162CE1 96.21 161O 25C19 162CA 38.78 161O 25C19 163N 57.58 161O 25C19 161C 9.12 161O 25C19 162CG 68.74 162ND1 25C19 25N 95.15 162ND1 25C19 25CA 77.47 162ND1 25C19 162CE1 16.21 162ND1 25C19 162CA 42.69 162ND1 25C19 19NE2 79.46 162ND1 25C19 163N 49.40 162ND1 25C19 161C 71.09 162ND1 25C19 162CG 11.30 162ND1 25C19 19OE1 54.54 162ND1 25C19 25C 81.37 162ND1 25C19 26N 95.47 25N 25C19 25CA 20.26 25N 25C19 23O 49.36 25N 25C19 162CE1 81.63 25N 25C19 19NE2 50.17 25N 25C19 23C 44.73 25N 25C19 163N 92.43 25N 25C19 23CA 59.48 25N 25C19 19OE1 52.21 25N 25C19 25C 30.33 25N 25C19 26N 33.58 25CA 25C19 23O 69.09 25CA 25C19 162CE1 66.04 25CA 25C19 19NE2 56.58 25CA 25C19 23C 64.91 25CA 25C19 163N 73.45 25CA 25C19 23CA 78.58 25CA 25C19 162CG 85.89 25CA 25C19 19OE1 46.47 25CA 25C19 25C 17.28 25CA 25C19 26N 29.70 23O 25C19 19NE2 67.81 23O 25C19 23C 15.74 23O 25C19 23CA 30.61 23O 25C19 19OE1 88.93 23O 25C19 25C 71.99 23O 25C19 26N 63.05 162CE1 25C19 162CA 58.48 162CE1 25C19 19NE2 63.81 162CE1 25C19 163N 59.21 162CE1 25C19 161C 87.29 162CE1 25C19 162CG 27.50 162CE1 25C19 19OE1 38.34 162CE1 25C19 25C 73.76 162CE1 25C19 26N 89.08 162CA 25C19 163N 31.32 162CA 25C19 161C 30.71 162CA 25C19 162CG 31.93 162CA 25C19 19OE1 96.39 162CA 25C19 25C 93.49 162CA 25C19 26N 99.54 19NE2 25C19 23C 52.36 19NE2 25C19 23CA 47.51 19NE2 25C19 162CG 90.36 19NE2 25C19 19OE1 27.54 19NE2 25C19 25C 73.76 19NE2 25C19 26N 82.78 23C 25C19 23CA 18.96 23C 25C19 19OE1 75.13 23C 25C19 25C 72.57 23C 25C19 26N 67.65 163N 25C19 161C 53.30 163N 25C19 162CG 44.32 163N 25C19 19OE1 88.05 163N 25C19 25C 63.02 163N 25C19 26N 68.23 23CA 25C19 19OE1 74.37 23CA 25C19 25C 89.19 23CA 25C19 26N 86.09 161C 25C19 162CG 59.79 162CG 25C19 19OE1 65.83 162CG 25C19 25C 87.18 162CG 25C19 26N 99.91 19OE1 25C19 25C 62.33 19OE1 25C19 26N 76.16 25C 25C19 26N 15.58 25SG 25O20 25CB 34.29 25SG 25O20 25N 58.41 25SG 25O20 23O 94.11 25SG 25O20 162ND1 57.05 25SG 25O20 25CA 42.72 25SG 25O20 19OE1 79.03 25SG 25O20 19CD 92.36 25SG 25O20 24N 95.32 25SG 25O20 162OE1 62.12 25SG 25O20 161O 62.41 25SG 25O20 24C 65.93 25CB 25O20 19NE2 70.39 25CB 25O20 23C 93.15 25CB 25O20 25N 40.44 25CB 25O20 23O 94.44 25CB 25O20 162ND1 54.11 25CB 25O20 25CA 19.78 25CB 25O20 19OE1 46.09 25CB 25O20 19CD 58.16 25CB 25O20 24N 78.39 25CB 25O20 162CE1 47.36 25CB 25O20 161O 92.37 25CB 25O20 24C 49.33 19NE2 25O20 23CA 63.45 19NE2 25O20 23C 67.92 19NE2 25O20 25N 61.15 19NE2 25O20 23O 85.94 19NE2 25O20 162ND1 88.31 19NE2 25O20 25CA 65.49 19NE2 25O20 19OE1 31.85 19NE2 25O20 19CD 15.16 19NE2 25O20 24N 55.12 19NE2 25O20 162CE1 71.33 19NE2 25O20 24C 60.20 19NE2 25O20 23N 58.44 23CA 25O20 23C 24.00 23CA 25O20 25N 73.06 23CA 25O20 23O 37.74 23CA 25O20 25CA 93.15 23CA 25O20 19OE1 94.06 23CA 25O20 19CD 77.95 23CA 25020 24N 33.98 23CA 25O20 24C 64.37 23CA 25O20 23N 6.16 23C 25O20 25N 52.77 23C 25O20 23O 18.86 23C 25O20 25CA 73.50 23C 25O20 19OE1 92.10 23C 25O20 19CD 79.18 23C 25O20 24N 16.93 23C 25O20 24C 43.85 23C 25O20 23N 28.31 25N 25O20 23O 55.74 25N 25O20 162ND1 94.17 25N 25O20 25CA 20.73 25N 25O20 19OE1 59.69 25N 25O20 19CD 59.03 25N 25O20 24N 39.08 25N 25O20 162CE1 84.24 25N 25O20 24C 8.93 25N 25O20 23N 74.25 23O 25O20 25CA 75.11 23O 25O20 19CD 95.79 23O 25O20 24N 31.46 23O 25O20 24C 47.72 23O 25O20 23N 43.41 162ND1 25O20 25CA 73.82 162ND1 25O20 19OE1 58.12 162ND1 25O20 19CD 73.91 162ND1 25O20 162CE1 17.08 162ND1 25O20 161O 63.55 25CA 25O20 19OE1 51.34 25CA 25O20 19CD 57.52 25CA 25O20 24N 59.36 25CA 25O20 162CE1 65.59 25CA 25O20 24C 29.65 25CA 25O20 23N 93.68 19OE1 25O20 19CD 16.69 19OE1 25O20 24N 75.92 19OE1 25O20 162CE1 41.10 19OE1 25O20 24C 64.20 19OE1 25O20 23N 89.60 19CD 25O20 24N 64.32 19CD 25O20 162CE1 56.83 19CD 25O20 24C 60.79 19CD 25O20 23N 73.22 24N 25O20 24C 30.42 24N 25O20 23N 35.59 162CE1 25O20 161O 80.58 162CE1 25O20 24C 92.22 24C 25O20 23N 65.85 160CD1 25C21 158O 97.34 160CD1 25C21 160CG 23.97 160CD1 25C21 16OCB 37.71 160CD1 25C21 160N 66.46 160CD1 25C21 158C 87.61 160CD1 25C21 160CA 53.04 158O 25C21 16OCG 75.13 158O 25C21 160CB 77.51 158O 25C21 160N 47.16 158O 25C21 158C 10.74 158O 25C21 160CA 63.99 160CG 25C21 160CB 22.63 160CG 25C21 160N 43.47 160CG 25C21 158C 66.36 160CG 25C21 160CA 33.10 160CB 25C21 160N 33.28 160CB 25C21 158C 71.92 160CB 25C21 160CA 16.60 16ON 25C21 158C 44.97 160N 25C21 160CA 17.43 158C 25C21 160CA 60.36 160CD1 25C22 160CG 21.04 160CD1 25C22 160CB 35.29 160CD1 25C22 209CD2 57.75 160CD1 25C22 209CD1 70.22 160CD1 25C22 158O 76.29 160CG 25C22 160CB 20.86 160CG 25C22 209CD2 73.30 160CG 25C22 209CD1 90.52 160CG 25C22 158O 57.61 160CB 25C22 209CD2 69.60 160CB 25C22 209CD1 94.36 160CB 25C22 158O 61.33 209CD2 25C22 209CD1 29.68 160CD1 25C23 209CD2 57.43 160CD1 25C23 160CB 34.09 160CD1 25C23 1600 71.45 160CD1 25C23 160CG 18.98 209CD2 25C23 67CE1 66.23 209CD2 25C23 160CB 73.03 209CD2 25C23 1600 88.66 209CD2 25C23 67OH 97.28 209CD2 25C23 160CG 72.08 209CD2 25C23 67CZ 81.22 67CE1 25C23 67OH 31.06 67CE1 25C23 67CZ 15.09 160CB 25C23 160O 37.90 160CB 25C23 160CG 19.32 160O 25C23 160CG 56.76 67OH 25C23 67CZ 16.25 160O 25C24 160CB 44.46 160O 25C24 160C 11.63 160O 25C24 160CA 31.06 160O 25C24 160N 41.50 160O 25C24 160CD1 75.56 160O 25C24 160CG 62.09 160CB 25C24 160C 34.19 160CB 25C24 160CA 18.85 160CB 25C24 160N 32.07 160CB 25C24 160CD1 32.04 160CB 25C24 160CG 18.03 160C 25C24 160CA 19.45 160C 25C24 160N 31.04 160C 25C24 160CD1 66.04 160C 25C24 160CG 51.26 160CA 25C24 160N 18.21 160CA 25C24 160CD1 50.13 160CA 25C24 160CG 33.24 160N 25C24 160CD1 57.42 160N 25C24 160CG 38.76 160CD1 25C24 160CG 18.66 67CE1 25C24 67OH 28.53 160O 25C25 160N 52.68 160O 25C25 160CB 48.40 160O 25C25 160CA 37.54 160O 25C25 160C 16.03 160O 25C25 160CG 68.51 160O 25C25 160CD1 77.48 160O 25C25 159C 58.15 160O 25C25 159CA 73.59 160O 25C25 158C 96.27 160N 25C25 160CB 39.49 160N 25C25 158O 51.80 160N 25C25 160CA 21.57 160N 25C25 160C 36.87 160N 25C25 160CG 45.04 160N 25C25 160CD1 63.96 160N 25C25 159C 10.14 160N 25C25 159CA 27.45 160N 25C25 158C 43.72 160CB 25C25 158O 77.37 160CB 25C25 160CA 22.69 160CB 25C25 160C 37.96 160CB 25C25 160CG 20.22 160CB 25C25 160CD1 31.90 160CB 25C25 159C 49.57 160CB 25C25 159CA 65.68 160CB 25C25 158C 69.44 158O 25C25 160CA 71.03 158O 25C25 160C 88.59 158O 25C25 160CG 65.33 158O 25C25 160CD1 77.45 158O 25C25 159C 46.06 158O 25C25 159CA 33.23 158O 25C25 158C 8.40 160CA 25C25 160C 22.25 160CA 25C25 160CG 37.31 160CA 25C25 160CD1 53.48 160CA 25C25 159C 31.20 160CA 25C25 159CA 48.92 160CA 25C25 158C 62.65 160C 25C25 160CG 56.85 160C 25C25 160CD1 69.51 160C 25C25 159C 43.18 160C 25C25 159CA 59.72 160C 25C25 158C 80.59 160CG 25C25 160CD1 19.02 160CG 25C25 159C 53.50 160CG 25C25 159CA 65.18 160CG 25C25 158C 58.66 160CD1 25C25 159C 72.53 160CD1 25C25 159CA 83.50 160CD1 25C25 158C 72.33 159C 25C25 159CA 17.81 159C 25C25 158C 38.66 159CA 25C25 158C 27.96 158O 25C26 160N 61.78 158O 25C26 160CB 92.43 158O 25C26 160CG 82.57 158O 25C26 158C 10.10 158O 25C26 160CA 80.14 158O 25C26 160CD1 98.52 158O 25C26 159C 50.29 158O 25C26 159CA 34.65 158O 25C26 160C 92.37 158O 25C26 159N 20.44 158O 25C26 158CA 18.72 160N 25C26 160CB 40.08 160N 25C26 160CG 50.16 160N 25C26 158C 54.73 160N 25C26 160CA 20.14 160N 25C26 160CD1 70.80 160N 25C26 160O 45.75 160N 25C26 159C 12.46 160N 25C26 159CA 31.73 160N 25C26 160C 31.11 160N 25C26 159N 41.35 160N 25C26 158CA 65.61 160CB 25C26 160CG 23.66 160CB 25C26 158C 82.75 160CB 25C26 160CA 21.78 160CB 25C26 16GCD1 36.20 160CB 25C26 160O 42.04 160CB 25C26 159C 51.11 160CB 25C26 159CA 70.60 160CB 25C26 160C 32.83 160CB 25C26 159N 74.02 160CB 25C26 158CA 86.07 160CG 25C26 158C 72.51 160CG 25C26 160CA 39.22 160CG 25C26 160CD1 21.40 160CG 25C26 160O 65.66 160CG 25C26 159C 58.12 160CG 25C26 159CA 73.32 160CG 25C26 160C 55.17 160CG 25C26 159N 69.08 160CG 25C26 158CA 70.57 158C 25C26 160CA 71.90 158C 25C26 160CD1 88.97 158C 25C26 160O 99.96 158C 25C26 159C 44.20 158C 25C26 159CA 31.81 158C 25C26 160C 85.81 158C 25C26 159N 14.55 158C 25C26 158CA 15.01 160CA 25C26 160CD1 56.75 160CA 25C26 160O 33.81 160CA 25C26 159C 32.58 160CA 25C26 159CA 51.87 160CA 25C26 160C 19.16 160CA 25C26 159N 59.89 160CA 25C26 158CA 80.10 160CD1 25C26 160O 74.72 160CD1 25C26 159C 79.44 160CD1 25C26 159CA 94.53 160CD1 25C26 160C 68.62 160CD1 25C26 159N 88.47 160CD1 25C26 158CA 83.00 160C 25C26 159C 55.78 160O 25C26 159CA 71.36 160C 25C26 160C 15.23 160O 25C26 159N 85.80 159C 25C26 159CA 19.31 159C 25C26 160C 42.08 159C 25C26 159N 30.09 159C 25C26 158CA 56.63 159CA 25C26 160C 59.37 159CA 25C26 159N 17.84 159CA 25C26 158CA 46.52 160C 25C26 159N 72.10 160C 25C26 158CA 96.40 159N 25C26 158CA 28.80 160O 25C27 160C 5.58 160O 25C27 160CB 36.45 67OH 25C27 67CE1 31.65 67OH 25C27 67CZ 17.00 67CE1 25C27 67CZ 17.03 160C 25C27 160CB 31.24 160O 25O28 160C 3.01 160O 25O28 161CA 33.47 160C 25O28 160CB 35.39 160O 25O28 161N 15.24 160O 25O28 160CA 17.00 160C 25O28 161O 59.68 160C 25O28 161C 45.54 160C 25O28 161CA 33.37 160C 25O28 160CB 34.06 160C 25O28 161N 14.62 160C 25O28 160CA 16.50 160C 25O28 161C 58.60 160C 25O28 161C 44.40 161CA 25O28 160CB 65.80 161CA 25O28 161N 18.92 161CA 25O28 160CA 49.84 161CA 25O28 161O 28.96 161CA 25O28 161C 17.13 160CB 25O28 161N 47.18 160CB 25O28 160CA 19.23 160CB 25O28 161C 84.88 160CB 25O28 161C 71.68 161N 25O28 160CA 30.98 161N 25O28 161O 44.5O 161N 25O28 161C 30.43 160CA 25O28 161O 73.79 160CA 25O28 161C 59.64 161O 25O28 161C 14.21 160O 25C29 160C 8.30 160O 25C29 161O 64.77 160O 25C29 161CA 35.29 160O 25C29 161C 50.76 160O 25C29 161N 20.86 160C 25C29 161O 58.92 160C 25C29 161CA 30.98 160C 25C29 161C 44.50 160C 25C29 161N 14.62 161O 25C29 161CA 30.36 161O 25C29 161C 14.65 161O 25C29 66O 98.33 161O 25C29 161N 44.35 161CA 25C29 161C 18.41 161CA 25C29 161N 17.07 161C 25C29 161N 30.04 66O 25C29 67CE1 67.43 67CE1 25030 66O 85.21 67CE1 25030 67CD1 18.89 67CE1 25030 67CZ 18.55 67CE1 25030 66C 76.83 67CE1 25030 67OH 30.56 67CE1 25030 67CG 30.00 67CE1 25030 67CE2 29.39 66O 25030 67CD1 68.13 66O 25030 67CZ 86.99 66O 25030 66C 13.74 66O 25030 67CG 55.33 66O 25030 67CE2 73.81 67CD1 25030 67CZ 32.19 67CD1 25030 66C 61.85 67CD1 25030 67OH 47.68 67CD1 25030 67CG 16.18 67CD1 25030 67CE2 34.38 67CZ 25030 66C 75.55 67CZ 25030 67OH 16.91 67CZ 25030 67CG 34.81 67CZ 25030 67CE2 15.93 66C 25030 67OH 90.11 66C 25030 67CG 47.06 66C 25030 67CE2 61.38 67OH 25030 67CG 51.72 67OH 25030 67CE2 28.75 67CG 25030 67CE2 28.79 161O 25C31 161C 15.89 161O 25C31 163CB 92.78 161O 25C31 163N 61.31 161O 25C31 25SG 64.02 161O 25C31 160O 63.87 161O 25C31 161CA 29.15 161O 25C31 162N 24.80 161O 25C31 162C 50.12 161O 25C31 162CA 32.14 161C 25C31 163CB 90.31 161C 25C31 163N 58.98 161C 25C31 25SG 74.60 161C 25C31 160O 51.49 161C 25C31 161CA 18.45 161C 25C31 162N 14.50 161C 25C31 162C 44.52 161C 25C31 162CA 29.60 66O 25C31 163CB 84.58 66O 25C31 25SG 96.91 163CB 25C31 163N 31.73 163CB 25C31 25SG 54.53 163CB 25C31 162N 76.07 163CB 25C31 162C 45.95 163CB 25C31 162CA 61.61 163N 25C31 25SG 46.05 163N 25C31 160O 95.54 163N 25C31 161CA 75.21 163N 25C31 162N 45.16 163N 25C31 162C 16.28 163N 25C31 162CA 29.89 25SG 25C31 161CA 92.28 25SG 25C31 162N 68.65 25SG 25C31 162C 56.25 25SG 25C31 162CA 53.18 160O 25C31 161CA 34.72 160O 25C31 162N 58.12 160O 25C31 162C 79.70 160O 25C31 162CA 74.94 161CA 25C31 162N 30.24 161CA 25C31 162C 59.56 161CA 25C31 162CA 47.15 162N 25C31 162C 30.15 162N 25C31 162CA 17.36 162C 25C31 162CA 18.28 66O 25C32 66C 6.90 66O 25C32 26CB 47.54 66O 25C32 66N 33.71 66O 25C32 67CA 32.46 66O 25C32 67N 16.73 66O 25C32 68SD 78.15 66O 25C32 66CA 18.01 66C 25C32 26CB 54.44 66C 25C32 66N 33.07 66C 25C32 67CA 31.49 66C 25C32 67N 13.91 66C 25C32 68SD 82.32 66C 25C32 66CA 15.84 163CB 25C32 26CB 63.43 163CB 25C32 161O 78.07 163CB 25C32 68SD 47.45 26CB 25C32 66N 59.39 26CB 25C32 67CA 62.90 26CB 25C32 67N 59.03 26CB 25C32 68SD 57.55 26CB 25C32 66CA 57.10 66N 25C32 67CA 64.54 66N 25C32 67N 46.76 66N 25C32 66CA 17.45 67CA 25C32 67N 17.89 67CA 25C32 68SD 59.36 67CA 25C32 66CA 47.17 67N 25C32 68SD 73.47 67N 25C32 66CA 29.33 68SD 25C32 66CA 96.00 66O 25C33 68SD 88.15 66O 25C33 67CA 38.20 66O 25C33 66C 8.09 66O 25C33 67CD1 67.84 66O 25C33 26CB 42.16 68SD 25C33 163CB 58.04 68SD 25C33 209CD2 90.24 68SD 25C33 68CE 24.67 68SD 25C33 134CB 82.77 68SD 25C33 67CA 68.81 68SD 25C33 66C 87.57 68SD 25C33 67CD1 97.64 68SD 25C33 163CA 69.15 68SD 25C33 26CB 61.04 68SD 25C33 163N 85.62 163C13 25C33 68CE 66.68 163CB 25C33 134CB 76.70 163CB 25C33 163CA 16.69 163CB 25C33 26CB 62.05 163CB 25C33 163N 28.80 209CD2 25C33 68CE 67.71 209CD2 25C33 134CB 48.90 209CD2 25C33 67CA 91.59 209CD2 25C33 67CD1 58.37 68CE 25C33 134CB 60.70 68CE 25C33 67CA 80.55 68CE 25C33 67CD1 93.40 68CE 25C33 163CA 71.10 68CE 25C33 26CB 85.68 68CE 25C33 163N 88.13 134CB 25C33 163CA 63.97 134CB 25C33 163N 69.60 67CA 25C33 66C 31.31 67CA 25C33 67CD1 43.75 67CA 25C33 26CB 61.06 66C 25C33 67CD1 59.98 66C 25C33 26CB 47.92 163CA 25C33 26CB 77.85 163CA 25C33 163N 17.21 26CB 25C33 163N 81.08 134CB 25C34 163CB 98.21 134CB 25C34 209CD2 58.87 134CB 25C34 134CA 20.10 134CB 25C34 163CA 84.05 134CB 25C34 163N 93.22 134CB 25C34 68SD 90.66 134CB 25C34 162O 68.42 134CB 25C34 162C 84.53 134CB 25C34 68CE 68.29 134CB 25C34 160O 90.59 134CB 25C34 133O 48.20 134CB 25C34 134C 23.47 134CB 25C34 134N 22.08 163CB 25C34 134CA 80.28 163CB 25C34 163CA 22.29 163CB 25C34 163N 35.89 163CB 25C34 68SD 54.05 163CB 25C34 162O 61.05 163CB 25C34 162C 53.04 163CB 25C34 68CE 66.68 163CB 25C34 161O 82.47 163CB 25C34 66O 82.69 163CB 25C34 161C 87.58 163CB 25C34 133O 51.04 163CB 25C34 134C 88.38 163CB 25C34 134N 76.48 209CD2 25C34 134CA 78.36 209CD2 25C34 68SD 85.07 209CD2 25C34 68CE 68.09 209CD2 25C34 160O 89.46 209CD2 25C34 66O 98.98 209CD2 25C34 133O 91.98 209CD2 25C34 134C 80.67 209CD2 25C34 134N 73.48 134CA 25C34 163CA 64.27 134CA 25C34 163N 73.36 134CA 25C34 68SD 87.47 134CA 25C34 162O 50.99 134CA 25C34 162C 66.34 134CA 25C34 68CE 68.94 134CA 25C34 160O 96.11 134CA 25C34 161C 93.44 134CA 25C34 133O 34.17 134CA 25C34 134C 14.63 134CA 25C34 134N 13.38 163CA 25C34 163N 20.60 163CA 25C34 68SD 71.18 163CA 25C34 162O 39.10 163CA 25C34 162C 33.94 163CA 25C34 68CE 76.73 163CA 25C34 161O 73.90 163CA 25C34 161C 74.17 163CA 25C34 133O 43.83 163CA 25C34 134C 69.19 163CA 25C34 134N 64.70 163N 25C34 68SD 89.44 163N 25C34 162O 30.77 163N 25C34 162C 17.88 163N 25C34 68CE 97.26 163N 25C34 160O 97.64 163N 25C34 161O 53.38 163N 25C34 161C 53.96 163N 25C34 133O 61.87 163N 25C34 134C 73.07 163N 25C34 134N 77.98 68SD 25C34 68CE 23.41 68SD 25C34 66O 65.12 68SD 25C34 133O 57.26 68SD 25C34 134N 74.79 162O 25C34 162C 16.36 162O 25C34 160O 80.07 162O 25C34 161O 57.49 162O 25C34 161C 48.98 162O 25C34 133O 57.78 162O 25C34 134C 45.59 162O 25C34 134N 60.64 162C 25C34 160O 82.14 162C 25C34 161O 46.60 162C 25C34 161C 42.17 162C 25C34 133O 66.02 162C 25C34 134C 61.91 162C 25C34 134N 74.59 68CE 25C34 66O 84.63 68CE 25C34 133O 46.00 68CE 25C34 134C 83.30 68CE 25C34 134N 55.59 160O 25C34 161O 52.91 160O 25C34 161C 45.36 160O 25C34 134C 81.68 161O 25C34 66O 93.09 161O 25C34 161C 14.42 161O 25C34 134C 94.94 161C 25C34 134C 81.60 133O 25C34 134C 47.42 133O 25C34 134N 26.12 134C 25C34 134N 27.76 209CD2 25C35 67CD1 84.45 209CD2 25C35 67CE1 80.21 209CD2 25C35 68SD 97.07 209CD2 25C35 209CG 14.43 209CD2 25C35 68CE 73.57 209CD2 25C35 234OH2 69.51 209CD2 25C35 134CB 48.83 209CD2 25C35 67CZ 91.21 67CD1 25C35 66O 85.63 67CD1 25C35 67CA 57.17 67CD1 25C35 67CE1 19.94 67CD1 25C35 67CG 19.64 67CD1 25C35 67CB 37.21 67CD1 25C35 209CG 80.87 67CD1 25C35 66C 72.49 67CD1 25C35 234OH2 56.52 67CD1 25C35 67N 60.31 67CD1 25C35 68N 77.14 67CD1 25C35 67C 68.08 67CD1 25C35 67CZ 24.12 67CD1 25C35 67CD2 23.57 66O 25C35 67CA 43.70 66O 25C35 67CE1 93.34 66O 25C35 67CG 67.30 66O 25C35 67CB 61.47 66O 25C35 68SD 79.58 66O 25C35 66C 13.35 66O 25C35 234OH2 97.49 66O 25C35 67N 29.17 66O 25C35 68N 61.59 66O 25C35 67C 49.59 66O 25C35 67CZ 83.31 66O 25C35 67CD2 62.47 67CA 25C35 67CE1 74.54 67CA 25C35 67CG 38.46 67CA 25C35 67CB 21.40 67CA 25C35 68SD 71.28 67CA 25C35 68CE 86.07 67CA 25C35 66C 33.51 67CA 25C35 234OH2 54.58 67CA 25C35 67N 17.55 67CA 25C35 68N 31.22 67CA 25C35 67C 15.46 67CA 25C35 67CZ 70.81 67CA 25C35 67CD2 42.99 67CE1 25C35 67CG 36.15 67CE1 25C35 67CB 56.18 67CE1 25C35 209CG 81.63 67CE1 25C35 66C 81.58 67CE1 25C35 234OH2 73.50 67CE1 25C35 67N 73.49 67CE1 25C35 68N 96.98 67CE1 25C35 67C 86.96 67CE1 25C35 67CZ 11.55 67CE1 25C35 67CD2 33.63 67CG 25C35 67CB 21.11 67CG 25C35 209CG 95.25 67CG 25C35 66C 53.96 67CG 25C35 234OH2 55.92 67CG 25C35 67N 40.77 67CG 25C35 68N 62.93 67CG 25C35 67C 51.10 67CG 25C35 67CZ 34.20 67CG 25C35 67CD2 11.75 67CB 25C35 68SD 84.13 67CB 25C35 209CG 94.85 67CB 25C35 68CE 92.04 67CB 25C35 66C 49.06 67CB 25C35 234OH2 43.66 67CB 25C35 67N 32.31 67CB 25C35 68N 41.83 67CB 25C35 67C 30.89 67CB 25C35 67CZ 55.30 67CB 25C35 67CD2 30.26 68SD 25C35 209CG 86.31 68SD 25C35 68CE 23.56 68SD 25C35 66C 84.14 68SD 25C35 234OH2 65.58 68SD 25C35 67N 81.24 68SD 25C35 134CB 74.35 68SD 25C35 68N 42.38 68SD 25C35 67C 56.14 209CG 25C35 68CE 63.48 209CG 25C35 234OH2 55.92 209CG 25C35 134CB 53.71 209CG 25C35 68N 92.87 209CG 25C35 67CZ 93.16 68CE 25C35 234OH2 58.89 68CE 25C35 67N 99.75 68CE 25C35 134CB 57.04 68CE 25C35 68N 54.84 68CE 25C35 67C 70.76 66C 25C35 234OH2 88.09 66C 25C35 67N 16.98 66C 25C35 68N 57.38 66C 25C35 67C 42.97 66C 25C35 67CZ 72.32 66C 25C35 67CD2 49.60 234OH2 25C35 67N 71.60 234OH2 25C35 134CB 98.59 234OH2 25C35 68N 41.88 234OH2 25C35 67C 48.67 234OH2 25C35 67CZ 80.56 234OH2 25C35 67CD2 67.67 67N 25C35 68N 46.13 67N 25C35 67C 30.25 67N 25C35 67CZ 66.52 67N 25C35 67CD2 39.87 68N 25C35 67C 16.06 68N 25C35 67CZ 97.13 68N 25C35 67CD2 71.07 67C 25C35 67CZ 84.80 67C 25C35 67CD2 57.44 67CZ 25C35 67CD2 27.90 161O 25C36 25SG 73.45 161O 25C36 161C 9.23 161O 25C36 163N 54.83 25SG 25C36 161C 78.40 25SG 25C36 65CA 99.90 25SG 25C36 26CD1 71.50 25SG 25C36 163N 45.03 25SG 25C36 26CB 68.53 66O 25C36 66N 37.32 66O 25C36 65CA 68.43 66O 25C36 26CD1 49.39 66O 25C36 26CB 39.54 161C 25C36 163N 52.99 66N 25C36 65CA 31.50 66N 25C36 26CD1 39.27 66N 25C36 26CB 55.35 65CA 25C36 26CD1 45.88 65CA 25C36 26CB 73.66 26CD1 25C36 26CB 29.63 163N 25C36 26CB 78.56 66N 25037 65CA 42.38 66N 25037 66O 46.15 66N 25037 65C 19.40 66N 25037 66CA 14.20 66N 25037 66C 33.73 66N 25037 26CD1 46.03 66N 25037 65N 50.68 66N 25037 64O 71.48 66N 25037 26CB 60.88 66N 25037 26CG 47.75 65CA 25037 66O 87.59 65CA 25037 65C 23.08 65CA 25037 66CA 56.55 65CA 25037 66C 75.97 65CA 25037 26CD1 55.04 65CA 25037 65N 8.31 65CA 25037 64O 33.61 65CA 25037 26CB 84.88 65CA 25037 26CG 67.58 66O 25037 65C 65.32 66O 25037 66CA 32.98 66O 25037 66C 13.52 66O 25037 26CD1 56.53 66O 25037 65N 95.80 66O 25037 26CB 40.45 66O 25037 26CG 44.04 65C 25037 66CA 33.51 65C 25037 66C 53.13 65C 25037 26CD1 48.33 65C 25037 65N 31.35 65C 25037 64O 52.95 65C 25037 26CB 72.24 65C 25037 26CG 56.09 161O 25037 25SG 57.00 66CA 25037 66C 19.92 66CA 25037 26CD1 50.28 66CA 25037 65N 64.84 66CA 25037 64O 84.47 66CA 25037 26CB 56.17 66CA 25037 26CG 47.05 66C 25037 26CD1 55.02 66C 25037 65N 84.27 66C 25037 26CB 47.54 66C 25037 26CG 45.65 26CD1 25037 25SG 70.87 26CD1 25037 65N 59.66 26CD1 25037 64O 86.49 26CD1 25037 26CB 31.10 26CD1 25037 26CG 15.01 25SG 25037 26CB 64.40 25SG 25037 26CG 71.37 65N 25037 64O 27.18 65N 25037 26CB 90.35 65N 25037 26CG 73.15 26CB 25037 26CG 17.30 161O 25N38 161C 6.07 161O 25N38 162CA 37.32 161O 25N38 163N 66.42 161O 25N38 162N 19.53 161O 25N38 162C 50.16 161O 25N38 161CA 13.58 161O 25N38 163CB 91.46 25SG 25N38 162CA 69.08 25SG 25N38 163N 53.99 25SG 25N38 162N 87.78 25SG 25N38 25CB 2.51 25SG 25N38 162C 65.56 25SG 25N38 163CB 56.74 161C 25N38 162CA 34.04 161C 25N38 163N 61.45 161C 25N38 162N 15.39 161C 25N38 162C 45.21 161C 25N38 161CA 14.75 161C 25N38 163CB 85.67 162CA 25N38 163N 32.71 162CA 25N38 162N 18.81 162CA 25N38 25CB 71.19 162CA 25N38 162C 18.79 162CA 25N38 161CA 48.73 162CA 25N38 163CB 62.05 163N 25N38 162N 47.03 163N 25N38 25CB 56.49 163N 25N38 162C 16.27 163N 25N38 161CA 74.28 163N 25N38 163CB 29.78 162N 25N38 25CB 89.84 162N 25N38 162C 30.82 162N 25N38 161CA 29.96 162N 25N38 163CB 73.48 25CB 25N38 162C 68.00 25CB 25N38 163CB 58.75 162C 25N38 161CA 58.33 162C 25N38 163CB 43.86 161CA 25N38 163CB 95.28 25SG 25N39 161C 88.31 25SG 25N39 23O 88.64 25SG 25N39 25CB 14.83 25SG 25N39 23C 82.58 25SG 25N39 161C 85.92 25SG 25N39 25N 41.66 25SG 25N39 23CA 91.29 25SG 25N39 25CA 24.80 25SG 25N39 162CA 58.01 161O 25N39 25CB 99.78 161O 25N39 161C 3.40 161O 25N39 162CA 31.86 23O 25N39 25CB 77.70 23O 25N39 23C 14.66 23O 25N39 65CA 50.70 23O 25N39 25N 47.04 23O 25N39 23CA 29.83 23O 25N39 25CA 63.85 25CB 25N39 23C 69.66 25CB 25N39 161C 97.02 25CB 25N39 25N 31.35 25CB 25N39 23CA 76.81 25CB 25N39 25CA 16.71 25CB 25N39 162CA 68.20 23C 25N39 65CA 64.77 23C 25N39 25N 41.89 23C 25N39 23CA 18.46 23C 25N39 25CA 58.51 161C 25N39 162CA 28.91 65CA 25N39 25N 88.24 65CA 25N39 23CA 73.18 25N 25N39 23CA 54.84 25N 25N39 25CA 16.92 25N 25N39 162CA 99.14 23CA 25N39 25CA 69.81 25CA 25N39 162CA 82.61 160O 25N40 161O 83.18 160O 25N40 161C 65.67 160O 25N40 161CA 44.84 160O 25N40 160C 14.22 160O 25N40 161N 30.23 160O 25N40 162N 67.90 161O 25N40 161C 19.36 161O 25N40 161CA 38.54 161O 25N40 160C 72.40 161O 25N40 161N 54.55 161O 25N40 162N 26.72 161C 25N40 161CA 23.35 161C 25N40 160C 53.79 161C 25N40 161N 35.96 161C 25N40 162N 13.14 161CA 25N40 160C 35.76 161CA 25N40 161N 19.52 161CA 25N40 162N 31.98 160C 25N40 161N 17.87 160C 25N40 162N 54.39 161N 25N40 162N 37.86

TABLE XVI Table of angles between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor 4-[N-[(phenylmethoxy)carbonyl]-L- leucyl]-1-[N-[(Phenylmethoxy)carbonyl]-L-leucyl]-3- pyrrolidinone Atom 1 Atom 2 Atom 3 Angle in degrees 184O 25C1 184CD1 70.91 184O 25C1 184CG 59.71 184O 25C1 184CB 40.07 184O 25C1 184CA 32.41 184O 25C1 180D1 51.11 184O 25C1 184C 14.14 184O 25C1 184NE1 85.23 184O 25C1 184CD2 70.75 184CD1 25C1 184CG 18.26 184CD1 25C1 184CB 34.36 184CD1 25C1 184CA 39.63 184CD1 25C1 180D1 88.02 184CD1 25C1 184C 58.65 184CD1 25C1 184NE1 15.36 184CD1 25C1 184CD2 26.43 184CG 25C1 184CB 19.78 184CG 25C1 184CA 33.68 184CG 25C1 18OD1 90.72 184CG 25C1 184C 50.19 184CG 25C1 184NE1 27.27 184CG 25C1 184CD2 15.55 184CB 25C1 184CA 19.99 184CB 25C1 18OD1 77.76 184CB 25C1 184C 31.92 184CB 25C1 184NE1 46.53 184CB 25C1 184CD2 31.52 184CA 25C1 18OD1 58.36 184CA 25C1 184C 19.14 184CA 25C1 184NE1 54.76 184CA 25C1 184CD2 48.54 18OD1 25C1 184C 48.87 184C 25C1 184NE1 73.60 184C 25C1 184CD2 63.42 184NE1 25C1 184CD2 26.12 20O 25C2 20C 16.36 20O 25C2 21NE2 67.96 20O 25C2 20N 38.80 20O 25C2 20CA 32.93 20O 25C2 19CG 52.37 20O 25C2 18OD1 81.91 20C 25C2 21NE2 65.02 20C 25C2 20N 33.58 20C 25C2 20CA 20.23 20C 25C2 19CG 62.24 20C 25C2 18OD1 73.06 21NE2 25C2 20N 97.72 21NE2 25C2 20CA 79.83 184CD1 25C2 20N 95.12 184CD1 25C2 19CG 55.67 184CD1 25C2 18OD1 86.02 184CD1 25C2 184NE1 16.52 184CD1 25C2 184CG 16.21 184CD1 25C2 184CA 36.11 20N 25C2 20CA 19.09 20N 25C2 19CG 44.54 20N 25C2 18OD1 43.33 20N 25C2 18CA 81.17 20CA 25C2 19CG 60.59 20CA 25C2 18OD1 53.05 20CA 25C2 184CA 98.88 19CG 25C2 18OD1 66.67 19CG 25C2 184NE1 60.03 19CG 25C2 184CG 69.53 19CG 25C2 184CA 62.53 18OD1 25C2 184CG 83.94 18OD1 25C2 184CA 53.91 184NE1 25C2 184CG 27.27 184NE1 25C2 184CA 52.47 184CG 25C2 184CA 30.07 20O 25C3 21NE2 68.98 20O 25C3 20C 12.74 20O 25C3 19CG 52.30 20O 25C3 19CD 62.76 184CD1 25C3 184NE1 19.43 184CD1 25C3 19CG 57.07 184CD1 25C3 184CG 15.46 184CD1 25C3 184CE2 27.70 184CD1 25C3 19CD 51.26 184NE1 25C3 19CG 64.69 184NE1 25C3 184CG 28.26 184NE1 25C3 184CE2 15.28 184NE1 25C3 19CD 52.93 21NE2 25C3 20C 62.81 20C 25C3 19CG 59.85 20C 25C3 19CD 72.69 19CG 25C3 184CG 69.91 19CG 25C3 184CE2 79.68 19CG 25C3 19CD 17.58 184CG 25C3 184CE2 27.82 184CG 25C3 19CD 66.23 184CE2 25C3 19CD 68.19 184NE1 25C4 184CD1 21.40 184NE1 25C4 184CE2 20.66 184NE1 25C4 184CG 31.78 184NE1 25C4 184CD2 31.15 184NE1 25C4 184CZ2 34.27 184CD1 25C4 184CE2 34.03 184CD1 25C4 184CG 18.28 184CD1 25C4 184CD2 31.27 184CD1 25C4 184CZ2 51.25 184CE2 25C4 184CG 32.35 184CE2 25C4 184CD2 18.86 184CE2 25C4 184CZ2 17.60 184CG 25C4 184CD2 19.32 184CG 25C4 184CZ2 49.25 184CD2 25C4 184CZ2 32.53 184CE2 25C5 184NE1 21.44 184CE2 25C5 184CD2 21.99 184CE2 25C5 184CD1 35.25 184CE2 25C5 184CG 36.03 184CE2 25C5 184CZ2 17.88 184CE2 25C5 184CE3 33.85 184CE2 25C5 184CB 53.93 184CE2 25C5 184CH2 28.11 184CE2 25C5 184CZ3 34.04 184NE1 25C5 184CD2 35.23 184NE1 25C5 184CD1 21.39 184NE1 25C5 184CG 35.13 184NE1 25C5 184CZ2 35.43 184NE1 25C5 184CE3 51.78 184NE1 25C5 184CB 52.94 184NE1 25C5 184CH2 48.87 184NE1 25C5 184CZ3 55.18 184CD2 25C5 184CD1 35.19 184CD2 25C5 184CG 22.35 184CD2 25C5 184CZ2 34.58 184CD2 25C5 184CE3 17.91 184CD2 25C5 184CB 36.19 184CD2 25C5 184CH2 34.79 184CD2 25C5 184CZ3 28.60 184CD1 25C5 184CG 21.04 184CD1 25C5 184CZ2 52.70 184CD1 25C5 184CE3 52.87 184CD1 25C5 184CB 34.98 184CD1 25C5 184CH2 62.57 184CD1 25C5 184CZ3 62.67 184CG 25C5 184CZ2 53.00 184CG 25C5 184CE3 36.87 184CG 25C5 184CB 18.54 184CG 25C5 184CH2 56.68 184CG 25C5 184CZ3 50.46 184CZ2 25C5 184CE3 38.17 184CZ2 25C5 184CB 69.96 184CZ2 25C5 184CH2 15.84 184CZ2 25C5 184CZ3 29.77 184CE3 25C5 184CB 44.40 184CE3 25C5 184CH2 29.96 184CE3 25C5 184CZ3 16.03 184CB 25C5 184CH2 70.55 184CB 25C5 184CZ3 60.21 184CH2 25C5 184CZ3 16.60 184CG 25C6 184CD1 20.02 184CG 25C6 184CB 21.95 184CG 25C6 184CD2 20.42 184CG 25C6 184O 61.94 184CG 25C6 184NE1 30.53 184CG 25C6 184CE2 30.58 184CG 25C6 184CA 33.96 184CG 25C6 184CE3 33.66 184CG 25C6 184C 50.16 184CD1 25C6 184CB 37.32 184CD1 25C6 184CD2 32.14 184CD1 25C6 184O 71.19 184CD1 25C6 184NE1 17.93 184CD1 25C6 184CE2 29.87 184CD1 25C6 184CA 39.85 184CD1 25C6 184CE3 48.53 184CD1 25C6 184C 57.95 184CB 25C6 184CD2 37.74 184CB 25C6 184O 40.76 184CB 25C6 184NE1 51.79 184CB 25C6 184CE2 51.93 184CB 25C6 184CA 19.22 184CB 25C6 184CE3 43.86 184CB 25C6 184C 30.42 184CD2 25C6 184O 78.21 184CD2 25C6 184NE1 30.21 184CD2 25C6 184CE2 18.12 184CD2 25C6 184CA 53.55 184CD2 25C6 184CE3 16.59 184CD2 25C6 184C 68.06 184O 25C6 184NE1 88.69 184O 25C6 184CE2 92.47 184O 25C6 184CA 31.36 184O 25C6 184CE3 80.46 184O 25C6 184C 13.35 184NE1 25C6 184CE2 17.71 184NE1 25C6 184CA 57.51 184NE1 25C6 184CE3 45.78 184NE1 25C6 184C 75.58 184CE2 25C6 184CA 63.83 184CE2 25C6 184CE3 30.35 184CE2 25C6 184C 80.70 184CA 25C6 184CE3 62.43 184CA 25C6 184C 18.09 184CE3 25C6 184C 73.23 184NE1 25C7 184CE2 21.08 184NE1 25C7 184CZ2 38.55 184NE1 25C7 184CD1 16.84 184NE1 25C7 184CD2 27.78 184NE1 25C7 184CH2 48.97 184NE1 25C7 184CG 24.53 184CE2 25C7 184CZ2 20.61 184CE2 25C7 184CD1 31.07 184CE2 25C7 184CD2 15.35 184CE2 25C7 184CH2 28.47 184CE2 25C7 184CG 26.62 184CZ2 25C7 184CD1 51.38 184CZ2 25C7 184CD2 31.85 184CZ2 25C7 184CH2 13.39 184CZ2 25C7 184CG 46.61 184CD1 25C7 184CD2 28.53 184CD1 25C7 184CH2 59.02 184CD1 25C7 184CG 15.12 184CD2 25C7 184CH2 33.93 184CD2 25C7 184CG 16.91 184CH2 25C7 184CG 50.64 184NE1 25O8 184CE2 19.75 184NE1 25O8 184CZ2 37.94 184NE1 25O8 184CD1 15.31 184NE1 25O8 19NE2 71.47 184NE1 25O8 19CD 57.15 184CE2 25O8 184CZ2 19.95 184CE2 25O8 184CD1 31.02 184CE2 25O8 19NE2 90.51 184CE2 25O8 19CD 76.72 184CZ2 25O8 184CD1 50.82 184CZ2 25O8 19CD 92.06 184CD1 25O8 19NE2 67.22 184CD1 25O8 19CD 51.55 19NE2 25O8 19CD 15.86 184NE1 25C9 184CZ2 42.18 184NE1 25C9 184CE2 21.04 184NE1 25C9 162ND1 65.62 184NE1 25C9 162CE1 48.16 184NE1 25C9 184CD1 10.29 184NE1 25C9 19NE2 73.80 184NE1 25C9 19OE1 48.69 184NE1 25C9 19CD 57.90 184NE1 25C9 184CH2 49.13 184CZ2 25C9 184CE2 21.63 184CZ2 25C9 162ND1 65.18 184CZ2 25C9 162CE1 57.30 184CZ2 25C9 184CD1 51.49 184CZ2 25C9 19OE1 86.41 184CZ2 25C9 19CD 98.49 184CZ2 25C9 184CH2 7.78 184CE2 25C9 162ND1 66.81 184CE2 25C9 162CE1 52.84 184CE2 25C9 184CD1 29.90 184CE2 25C9 19NE2 94.57 184CE2 25C9 19OE1 68.42 184CE2 25C9 19CD 78.74 184CE2 25C9 184CH2 28.19 162ND1 25C9 162CE1 18.04 162ND1 25C9 184CD1 72.19 162ND1 25C9 19NE2 76.32 162ND1 25C9 19CE1 58.44 162ND1 25C9 19CD 71.67 1G2ND1 25C9 184CH2 70.09 162CE1 25C9 184CD1 54.22 162CE1 25C9 19NE2 69.37 162CE1 25C9 19OE1 46.03 1E2CE1 25C9 19CD 60.55 162CE1 25C9 184CH2 63.87 184CD1 25C9 19NE2 66.83 184CD1 25C9 19OE1 44.17 184CD1 25C9 19CD 50.99 184CD1 25C9 184CH2 58.03 19NE2 25C9 19OE1 27.69 19NE2 25C9 19CD 15.92 19OE1 25C9 19CD 14.75 19OE1 25C9 184CH2 94.16 184NE1 25O10 162ND1 90.68 184NE1 25O10 1E2CE1 67.15 184NE1 25O10 184CE2 23.02 184NE1 25O10 184CZ2 46.79 184NE1 25O10 19OE1 64.53 184NE1 25O10 184CD1 12.02 184NE1 25O10 19NE2 90.63 184NE1 25O10 19CD 72.30 184NE1 25O10 162CG 91.69 184NE1 25O10 162NE2 63.41 184NE1 25O10 184CD2 16.34 184NE1 25O10 184CH2 50.63 184NE1 25O10 162CD2 76.58 184NE1 25O10 184CG 0.86 162ND1 25O10 162CE1 25.39 162ND1 25O10 184CE2 85.65 162ND1 25O10 184CZ2 80.71 162ND1 25O10 19OE1 79.25 162ND1 25O10 184CD1 93.79 162ND1 25O10 19NE2 99.71 162ND1 25O10 19CD 94.77 162ND1 25O10 162CG 11.75 162ND1 25O10 162NE2 27.28 162ND1 25O10 184CD2 87.44 162ND1 25O10 184CH2 80.29 162ND1 25O10 162CD2 17.27 162ND1 25O10 162CB 25.40 162ND1 25O10 25CB 48.85 162ND1 25O10 184CG 91.42 162ND1 25O10 25SG 48.57 162CE1 25O10 184CE2 67.89 162CE1 25O10 184CZ2 72.02 162CE1 25O10 19OE1 61.36 162CE1 25O10 184CD1 68.78 162CE1 25O10 19NE2 90.18 162CE1 25O10 19CD 78.77 162CE1 25O10 162CG 32.27 162CE1 25O10 162NE2 9.58 162CE1 25O10 184CD2 67.64 162CE1 25O10 184CH2 73.24 162CE1 25O10 162CD2 21.07 162CE1 25O10 162CB 48.98 162CE1 25O10 25CB 50.48 162CE1 25O10 184CG 67.80 162CE1 25O10 25SG 61.27 184CE2 25O10 184CZ2 23.77 184CE2 25O10 19OE1 85.64 184CE2 25O10 184CD1 35.04 184CE2 25O10 19CD 95.11 184CE2 25O10 162CG 82.23 184CE2 25O10 162NE2 60.72 184CE2 25O10 184CD2 6.70 184CE2 25O10 184CH2 27.61 184CE2 25O10 162CD2 68.81 184CE2 25O10 162CB 92.97 184CE2 25O10 184CG 23.63 184CZ2 25O10 184CD1 58.81 184CZ2 25O10 162CG 73.16 184CZ2 25O10 162NE2 62.79 184CZ2 25C10 184CD2 30.47 184CZ2 25O10 184CH2 3.84 184CZ2 25O10 162CD2 63.78 184CZ2 25O10 162CB 78.57 184CZ2 25O10 184CG 47.41 19OE1 25O10 184CD1 54.02 19OE1 25C10 19NE2 33.65 19OE1 25O10 19CD 17.62 19OE1 25O10 162CG 90.23 19OE1 25O10 162NE2 68.58 19CE1 25O10 184CD2 79.62 19OE1 25O10 162CD2 82.33 19CE1 25O10 25CB 46.49 19OE1 25O10 184CG 64.24 19OE1 25O10 25SG 67.15 184CD1 25O10 19NE2 78.67 184CD1 25O10 19CD 60.49 184CD1 25O10 162CG 97.06 184CD1 25O10 162NE2 67.08 184CD1 25O10 184CD2 28.35 184CD1 25O10 184CH2 62.64 184CD1 25O10 162CD2 81.91 184CD1 25O10 25CB 94.29 184CD1 25O10 184CG 11.41 19NE2 25O10 19CD 18.97 19NE2 25O10 162NE2 98.89 19NE2 25O10 25CB 52.31 19NE2 25O10 184CG 90.06 19NE2 25O10 25SG 64.08 19CD 25O10 162NE2 86.19 19CD 25O10 184CD2 88.53 19CD 25O10 162CD2 99.61 19CD 25O10 25CB 54.29 19CD 25O10 184CG 71.79 19CD 25O10 25SG 71.77 162CG 25O10 162NE2 30.49 162CG 25O10 184CD2 85.26 162CG 25O10 184CH2 72.15 162CG 25O10 162CD2 15.20 162CG 25O10 162CB 16.86 162CG 25O10 25CB 60.05 162CG 25O10 184CG 92.50 162CG 25O10 25SG 56.96 162NE2 25O10 184CD2 61.36 162NE2 25O10 184CH2 63.86 162NE2 25O10 162CD2 16.25 162NE2 25O10 162CB 47.22 162NE2 25O10 25CB 59.84 162NE2 25O10 184CG 64.14 162NE2 25O10 25SG 69.18 184CD2 25O10 184CH2 34.30 184CD2 25O10 162CD2 71.14 184CD2 25O10 162CB 97.22 184CD2 25O10 184CG 16.94 184CH2 25O10 162CD2 63.64 184CH2 25910 162CB 76.54 184CH2 25O10 184CG 51.24 162CD2 25O10 162CB 31.36 162CD2 25O10 25CB 62.62 162CD2 25O10 184CG 77.38 162CD2 25O10 25SG 65.53 162CB 25O10 25CB 66.47 162CB 25O10 25SG 56.57 25CB 25O10 25SG 21.55 161O 25C11 162ND1 77.52 161O 25C11 162CB 48.77 161O 25C11 162CG 66.44 161O 25C11 161C 9.16 161O 25C11 161OD1 44.79 161O 25C11 162CE1 89.91 161O 25C11 162CA 34.68 162ND1 25C11 162CB 36.88 162ND1 25C11 162CG 18.06 162ND1 25C11 184CZ2 57.93 162ND1 25C11 161C 73.11 162ND1 25C11 161OD1 88.11 162ND1 25C11 162CE1 12.39 162ND1 25C11 162CA 43.39 162CB 25C11 162CG 20.08 162CB 25C11 184CZ2 75.16 162CB 25C11 161C 41.40 162CB 25C11 161OD1 51.91 162CB 25C11 162CE1 47.69 162CB 25C11 162CA 18.23 162CG 25C11 184CZ2 60.65 162CG 25C11 161C 60.17 162CG 25C11 161OD1 70.16 162CG 25C11 162CE1 27.75 162CG 25C11 162CA 32.09 184CZ2 25C11 161OD1 96.89 184CZ2 25C11 162CE1 48.52 184CZ2 25C11 162CA 91.88 161C 25C11 1610D1 38.12 161C 25C11 162CE1 85.41 161C 25C11 162CA 29.74 161OD1 25C11 162CE1 97.18 161OD1 25C11 162CA 54.92 162CE1 25C11 162CA 55.72 161O 25C12 161OD1 53.96 161O 25C12 161CG 50.90 161O 25C12 161C 12.09 161O 25C12 162CB 45.66 161O 25C12 161CB 38.06 161O 25C12 162ND1 64.70 161OD1 25C12 161CG 14.06 161OD1 25C12 161C 42.27 161OD1 25C12 162CB 55.80 161OD1 25C12 161CB 30.86 161OD1 25C12 162ND1 86.96 161CG 25C12 161C 40.85 161CG 25C12 162CB 65.21 161CG 25C12 161CB 19.00 161CG 25C12 162ND1 96.52 161C 25C12 162CB 40.99 161C 25C12 161CB 31.65 161C 25C12 162ND1 65.80 162CB 25C12 161CB 67.55 162CB 25C12 162ND1 31.38 161CB 25C12 162ND1 96.34 161OD1 25C13 137O 81.25 161OD1 25C13 137C 63.73 161OD1 25C13 138N 56.48 161OD1 25C13 138CA 69.03 161OD1 25C13 137CB 63.42 161OD1 25C13 161CG 11.19 161OD1 25C13 161O 44.97 161OD1 25C13 162CB 53.52 161OD1 25C13 137CA 54.88 137O 25C13 137C 17.61 137O 25C13 138N 31.56 137O 25C13 184CZ2 73.45 137O 25C13 138CA 38.68 137O 25C13 137CB 38.26 137O 25C13 143NE2 53.14 137O 25C13 161CG 88.09 137O 25C13 184CH2 57.10 137O 25C13 162CB 89.51 137O 25C13 137CA 30.26 137C 25C13 138N 18.18 137C 25C13 184CZ2 85.16 137C 25C13 138CA 33.43 137C 25C13 137CB 33.67 137C 25C13 143NE2 68.48 137C 25C13 161CG 70.50 137C 25C13 184CH2 70.29 137C 25C13 162CB 80.53 137C 25C13 137CA 17.92 138N 25C13 138CA 19.51 138N 25C13 137CB 49.22 138N 25C13 143NE2 71.83 138N 25C13 161CG 60.17 138N 25C13 184CH2 87.76 138N 25C13 162CB 88.70 138N 25C13 137CA 30.79 184CZ2 25C13 137CB 62.75 184CZ2 25C13 143NE2 73.88 184CZ2 25C13 184CH2 16.99 184CZ2 25C13 162CB 71.91 184CZ2 25C13 137CA 79.40 138CA 25C13 137CB 66.92 138CA 25C13 143NE2 60.03 138CA 25C13 161CG 69.26 138CA 25C13 184CH2 94.51 138CA 25C13 137CA 49.37 137CB 25C13 143NE2 87.28 137CB 25C13 161CG 74.16 137CB 25C13 161O 86.27 137CB 25C13 184CH2 53.95 137CB 25C13 162CB 51.39 137CB 25C13 137CA 18.78 143NE2 25C13 184CH2 61.44 143NE2 25C13 137CA 83.39 161CG 25C13 161O 44.82 161CG 25C13 162CB 62.01 161CG 25C13 137CA 64.10 161O 25C13 162CB 40.52 161O 25C13 137CA 89.27 184CH2 25C13 162CB 78.30 184CH2 25C13 137CA 67.80 162CB 25C13 137CA 62.63 143NE2 25C14 184CZ2 89.78 143NE2 25C14 137O 59.02 143NE2 25C14 184CH2 73.23 143NE2 25C14 143CD 7.66 143NE2 25C14 137C 70.92 143NE2 25C14 138CA 63.43 143NE2 25C14 138N 72.92 184CZ2 25C14 137O 73.56 184CZ2 25C14 184CH2 18.41 184CZ2 25C14 143CD 82.48 184CZ2 25C14 137C 80.26 184CZ2 25C14 138N 95.58 137O 25C14 184CH2 58.32 137O 25C14 143CD 59.13 137O 25C14 137C 14.37 137O 25C14 138CA 35.52 137O 25C14 138N 26.67 184CH2 25C14 143CD 66.37 184CH2 25C14 137C 67.66 184CH2 25C14 138CA 93.75 184CH2 25C14 138N 83.05 143CD 25C14 137C 72.08 143CD 25C14 138CA 68.38 143CD 25C14 138N 76.11 137C 25C14 138CA 29.93 137C 25C14 138N 15.47 438CA 25C14 138N 17.13 161OD1 25C15 138CA 95.49 161OD1 25C15 138N 74.59 161OD1 25C15 137C 77.97 161OD1 25C15 138CB 88.03 161OD1 25C15 137O 95.93 161OD1 25C15 161CG 16.54 161OD1 25C15 137CA 62.55 161OD1 25C15 161ND2 28.48 161OD1 25C15 137N 44.50 161OD1 25C15 137CB 65.90 161OD1 25C15 138OG 75.32 161OD1 25C15 161CB 26.73 161OD1 25C15 161O 41.09 138CA 25C15 138N 26.47 138CA 25C15 137C 42.87 138CA 25C15 138CB 25.16 138CA 25C15 137O 47.79 138CA 25C15 161CG 93.95 138CA 25C15 137CA 58.55 138CA 25C15 161ND2 78.54 138CA 25C15 137N 64.03 138CA 25C15 138C 11.03 138CA 25C15 137CB 75.54 138CA 25C15 143NE2 66.87 138CA 25C15 138OG 29.01 138CA 25C15 138O 24.54 138N 25C15 137C 22.54 138N 25C15 138CB 42.08 138N 25C15 137O 37.92 138N 25C15 161CG 78.54 138N 25C15 137CA 33.52 138N 25C15 161ND2 66.91 138N 25C15 137N 37.71 138N 25C15 138C 32.59 138N 25C15 137CB 52.24 138N 25C15 143NE2 80.31 138N 25C15 138OG 36.11 138N 25C15 161CB 95.16 138N 25C15 138O 46.34 137C 25C15 138CB 63.59 137C 25C15 137O 19.93 137C 25C15 161CG 87.64 137C 25C15 137CA 18.45 137C 25C15 161ND2 80.75 137C 25C15 137N 33.66 137C 25C15 138C 43.43 137C 25C15 137CB 32.73 137C 25C15 143NE2 72.28 137C 25C15 138OG 58.64 137C 25C15 138O 53.23 138CB 25C15 137O 72.42 138CB 25C15 161CG 80.25 138CB 25C15 137CA 75.11 138CB 25C15 161ND2 63.55 138CB 25C15 137N 73.01 138CB 25C15 138C 33.69 138CB 25C15 137CB 94.23 138CB 25C15 143NE2 84.72 138CB 25C15 138OG 13.06 138CB 25C15 161CB 92.07 138CB 25C15 138O 41.98 137O 25C15 137CA 33.44 137O 25C15 137N 51.60 137O 25C15 138C 43.03 137C 25C15 137CB 37.73 137O 25C15 143NE2 53.68 137O 25C15 138OG 71.49 137O 25C15 138O 46.98 161CG 25C15 137CA 74.83 161CG 25C15 161ND2 16.70 161CG 25C15 137N 56.04 161CG 25C15 137CB 81.22 161CG 25C15 138OG 68.77 161CG 25C15 161CB 16.63 161CG 25C15 161O 45.51 137CA 25C15 161ND2 72.19 137CA 25C15 137N 18.82 137CA 25C15 138C 61.01 137CA 25C15 137CB 19.45 137CA 25C15 143NE2 86.99 137CA 25C15 138OG 66.83 137CA 25C15 161CB 89.10 137CA 25C15 138O 71.60 137CA 25C15 161O 90.57 161ND2 25C15 137N 54.06 161ND2 25C15 138C 89.54 161ND2 25C15 137CB 83.68 161ND2 25C15 138OG 52.25 161ND2 25C15 161CB 30.53 161ND2 25C15 161O 62.17 137N 25C15 138C 69.92 137N 25C15 137CB 31.11 137N 25C15 138OG 61.80 137N 25C15 161CB 70.66 137N 25C15 138O 82.86 137N 25C15 161O 77.59 138C 25C15 137CB 75.69 138C 25C15 143NE2 55.85 138C 25C15 138OG 39.61 138C 25C15 138O 14.34 137CB 25C15 143NE2 85.14 137CB 25C15 138OG 86.28 137CB 25C15 161CB 91.92 137CB 25C15 138O 83.44 137CB 25C15 161O 82.09 143NE2 25C15 138OG 94.34 143NE2 25C15 138O 43.49 138OG 25C15 161CB 82.00 138OG 25C15 138O 50.85 161CB 25C15 161O 34.58 161O 25C16 162ND1 76.53 161O 25C16 161C 3.98 161O 25C16 162CB 45.40 161O 25C16 25SG 72.69 161O 25C16 162CA 34.24 161O 25C16 162CG 62.41 161O 25C16 162N 17.52 162ND1 25C16 161C 72.86 162ND1 25C16 162CB 33.34 162ND1 25C16 25SG 49.81 162ND1 25C16 162CA 43.06 162ND1 25C16 162CG 15.65 162ND1 25C16 162N 59.06 161C 25C16 162CB 41.47 161C 25C16 25SG 71.63 161C 25C16 162CA 30.96 161C 25C16 162CG 58.58 161C 25C16 162N 14.06 162CB 25C16 25SG 60.72 162CB 25C16 162CA 19.06 162CB 25C16 162CG 17.85 162CB 25C16 162N 29.15 25SG 25C16 162CA 49.45 25SG 25C16 162CG 54.90 25SG 25C16 162N 61.48 162CA 25C16 162CG 30.90 162CA 25C16 162N 16.94 162CG 25C16 162N 45.31 161O 25O17 161C 2.40 161O 25N18 25SG 94.42 161O 25N18 162ND1 86.25 161O 25N18 162CA 41.79 161O 25N18 162CB 49.55 161O 25N18 161C 8.51 161O 25N18 162CG 69.44 161O 25N18 162CE1 97.59 161O 25N18 162N 24.49 25SG 25N18 162ND1 65.37 25SG 25N18 162CA 62.23 25SG 25N18 162CB 74.73 25SG 25N18 161C 86.60 25SG 25N18 162CG 67.87 25SG 25N18 25CB 21.50 25SG 25N18 162CE1 64.64 25SG 25N18 162N 73.85 25SG 25N18 19NE2 67.61 25SG 25N18 23CA 79.71 162ND1 25N18 162CA 50.07 162ND1 25N18 162CB 36.70 162ND1 25N18 161C 79.92 162ND1 25N18 162CG 16.82 162ND1 25N18 25CB 53.33 162ND1 25N18 162CE1 11.34 162ND1 25N18 162N 65.85 162ND1 25N18 19NE2 73.54 162CA 25N18 162CB 21.06 162CA 25N18 161C 33.62 162CA 25N18 162CG 34.82 162CA 25N18 25CB 70.27 162CA 25N18 162CE1 60.64 162CA 25N18 162N 17.53 162CB 25N18 161C 43.55 162CB 25N18 162CG 19.91 162CB 25N18 25CB 75.42 162CB 25N18 162CE1 48.04 162CB 25N18 162N 31.25 161C 25N18 162CG 63.15 161C 25N18 162CE1 91.21 161C 25N18 162N 16.15 162CG 25N18 25CB 61.89 162CG 25N18 162CE1 28.15 162CG 25N18 162N 49.49 162CG 25N18 19NE2 89.96 25CB 25N18 162CE1 48.89 25CB 25N18 162N 85.68 25CB 25N18 19NE2 49.72 25CB 25N18 23CA 76.32 162CE1 25N18 162N 76.89 162CE1 25N18 19NE2 62.43 19NE2 25N18 23CA 47.71 25SG 25C19 161O 93.76 25SG 25C19 23CA 98.71 25SG 25C19 25CB 19.06 25SG 25C19 162ND1 55.42 25SG 25C19 23C 83.02 25SG 25C19 162CA 57.95 25SG 25C19 161C 85.45 25SG 25C19 23O 84.21 25SG 25C19 25N 39.84 161O 25C19 162ND1 68.34 161O 25C19 162CA 36.84 161O 25C19 161C 9.82 23CA 25C19 25CB 86.55 23CA 25C19 23C 19.53 23CA 25C19 23O 30.41 23CA 25C19 25N 58.86 25CB 25C19 162ND1 49.56 25CB 25C19 23C 74.71 25CB 25C19 162CA 67.81 25CB 25C19 161C 97.94 25CB 25C19 23O 80.56 25CB 25C19 25N 30.79 162ND1 25C19 162CA 42.46 162ND1 25C19 161C 67.39 162ND1 25C19 25N 78.08 23C 25C19 23O 15.10 23C 25C19 25N 44.37 162CA 25C19 161C 30.60 162CA 25C19 25N 96.99 23O 25C19 25N 49.95 184CZ2 25N20 162ND1 57.46 184CZ2 25N20 184NE1 33.66 184CZ2 25N20 184CE2 16.92 184CZ2 25N20 162CE1 48.47 162ND1 25N20 184NE1 53.53 162ND1 25N20 184CE2 56.14 162ND1 25N20 162CE1 14.39 184NE1 25N20 184CE2 17.07 184NE1 25N20 162CE1 39.26 184CE2 25N20 162CE1 43.67 161O 25C21 25SG 97.39 161O 25C21 161C 15.35 161O 25C21 162CA 39.27 161O 25C21 162N 27.81 161O 25C21 161CA 24.14 161O 25C21 25CB 98.96 25SG 25C21 161C 94.07 25SG 25C21 162CA 60.19 25SG 25C21 162N 78.17 25SG 25C21 65CA 98.56 25SG 25C21 25CB 7.84 161C 25C21 162CA 33.93 161C 25C21 162N 16.70 161C 25C21 161CA 15.71 161C 25C21 25CB 97.60 162CA 25C21 162N 19.15 162CA 25C21 161CA 48.75 162CA 25C21 25CB 63.75 162N 25C21 161CA 30.04 162N 25C21 25CB 82.42 65CA 25C21 25CB 98.99 25SG 25C22 25CB 34.66 25SG 25C22 25N 70.64 25SG 25C22 25CA 48.75 25SG 25C22 19NE2 98.64 25SG 25C22 24C 78.81 25SG 25C22 162ND1 56.90 25SG 25C22 26N 47.65 25SG 25C22 25C 40.82 25SG 25C22 161O 81.68 25SG 25C22 24CA 97.30 25SG 25C22 162CA 49.19 25SG 25C22 163N 21.43 25SG 25C22 26CD1 82.19 25CB 25C22 25N 45.70 25CB 25C22 25CA 23.52 25CB 25C22 24N 85.13 25CB 25C22 19NE2 64.70 25CB 25C22 24C 56.87 25CB 25C22 162ND1 56.29 25CB 25C22 26N 47.43 25CB 25C22 25C 31.07 25CB 25C22 24CA 75.01 25CB 25C22 162CA 74.58 25CB 25C22 163N 53.55 25CB 25C22 26CD1 84.62 25N 25C22 25CA 23.10 25N 25C22 23C 59.53 25N 25C22 23CA 76.19 25N 25C22 23O 65.52 25N 25C22 24N 41.74 25N 25C22 19NE2 55.79 25N 25C22 24C 11.64 25N 25C22 162ND1 98.55 25N 25C22 26N 37.79 25N 25C22 25C 31.73 25N 25C22 24CA 29.34 25N 25C22 163N 92.04 25N 25C22 26CD1 53.86 25CA 25C22 23C 82.62 25CA 25C22 23CA 98.07 25CA 25C22 23O 87.79 25CA 25C22 24N 64.51 25CA 25C22 19NE2 62.14 25CA 25C22 24C 33.67 25CA 25C22 162ND1 79.26 25CA 25C22 26N 32.62 25CA 25C22 25C 17.41 25CA 25C22 24CA 52.26 25CA 25C22 162CA 95.54 25CA 25C22 163N 70.10 25CA 25C22 26CD1 64.67 23C 25C22 23CA 22.66 23C 25C22 23O 17.69 23C 25C22 24N 19.11 23C 25C22 19NE2 64.93 23C 25C22 24C 49.94 23C 25C22 26N 82.64 23C 25C22 25C 87.50 23C 25C22 24CA 31.15 23C 25C22 26CD1 58.43 23CA 25C22 23O 35.06 23CA 25C22 24N 35.02 23CA 25C22 19NE2 59.32 23CA 25C22 24C 68.76 23CA 25C22 24CA 51.14 23CA 25C22 26CD1 80.22 23O 25C22 24N 32.37 23O 25C22 19NE2 82.31 23O 25C22 24C 54.24 23O 25C22 26N 77.95 23O 25C22 25C 87.44 23O 25C22 24CA 36.53 23O 25C22 26CD1 46.14 24N 25C22 19NE2 52.35 24N 25C22 24C 33.74 24N 25C22 26N 70.95 24N 25C22 25C 71.93 24N 25C22 24CA 17.11 24N 25C22 26CD1 57.95 19NE2 25C22 24C 60.62 19NE2 25C22 162ND1 74.96 19NE2 25C22 26N 91.86 19NE2 25C22 25C 79.36 19NE2 25C22 24CA 60.80 24C 25C22 26N 39.04 24C 25C22 25C 38.21 24C 25C22 24CA 18.87 24C 25C22 163N 99.80 24C 25C22 26CD1 45.21 162ND1 25C22 26N 99.77 162ND1 25C22 25C 85.70 162ND1 25C22 161O 61.42 162ND1 25C22 162CA 41.62 162ND1 25C22 163N 51.67 26N 25C22 25C 16.78 26N 25C22 24CA 53.95 26N 25C22 162CA 94.45 26N 25C22 163N 65.37 26N 25C22 26CD1 38.29 25C 25C22 24CA 56.48 25C 25C22 162CA 90.01 25C 25C22 163N 61.59 25C 25C22 26CD1 53.65 161O 25C22 162CA 33.51 161O 25C22 163N 60.45 24CA 25C22 26CD1 44.43 162CA 25C22 163N 29.15 163N 25C22 26CD1 93.88 25SG 25O23 25N 73.79 25SG 25O23 25CB 39.28 25SG 25O23 25CA 55.31 25SG 25O23 24C 83.85 25SG 25O23 19OE1 93.34 25SG 25O23 162ND1 57.67 25SG 25O23 25C 46.54 25SG 25O23 26N 46.32 25SG 25O23 162CE1 63.52 25N 25O23 25CB 50.74 25N 25O23 19NE2 75.64 25N 25O23 23CA 93.95 25N 25O23 23C 70.21 25N 25O23 24N 51.30 25N 25O23 25CA 24.54 25N 25O23 23O 71.33 25N 25O23 24C 13.19 25N 25O23 19CD 72.43 25N 25O23 19OE1 71.68 25N 25O23 24CA 34.54 25N 25O23 22O 81.27 25N 25O23 23N 91.47 25N 25O23 25C 27.51 25N 25O23 26N 31.41 25N 25O23 22C 85.55 25N 25O23 162CE1 95.76 25CB 25O23 19NE2 84.85 25CB 25O23 25CA 26.21 25CB 25O23 24C 63.90 25CB 25O23 19CD 71.92 25CB 25O23 19OE1 57.57 25CB 25O23 24CA 85.27 25CB 25O23 162ND1 56.16 25CB 25O23 25C 29.27 25CB 25O23 26N 43.07 25CB 25O23 162CE1 50.07 19NE2 25O23 23CA 79.80 19NE2 25O23 23C 86.33 19NE2 25O23 24N 70.00 19NE2 25O23 25CA 78.56 19NE2 25O23 24C 75.95 19NE2 25O23 19CD 14.24 19NE2 25O23 19OE1 31.36 19NE2 25O23 24CA 76.27 19NE2 25O23 22O 39.90 19NE2 25O23 162ND1 87.36 19NE2 25O23 23N 69.25 19NE2 25O23 25C 92.00 19NE2 25O23 22C 53.68 19NE2 25O23 162CE1 73.60 23CA 25O23 23C 26.89 23CA 25O23 24N 42.72 23CA 25O23 23O 37.90 23CA 25O23 24C 81.01 23CA 25O23 19CD 93.90 23CA 25O23 24CA 59.79 23CA 25O23 22O 39.98 23CA 25O23 23N 10.55 23CA 25O23 22C 26.16 23C 25O23 24N 23.21 23C 25O23 25CA 94.66 23C 25O23 23O 17.05 23C 25O23 24C 57.02 23C 25O23 19CD 98.07 23C 25O23 24CA 35.84 23C 25O23 22O 50.35 23C 25O23 23N 31.08 23C 25O23 25C 92.95 23C 25O23 26N 83.85 23C 25O23 22C 39.73 24N 25O23 25CA 75.53 24N 25O23 23O 35.32 24N 25O23 24C 38.60 24N 25O23 19CD 79.21 24N 25O23 19OE1 91.96 24N 25O23 24CA 18.27 24N 25O23 22O 43.58 24N 25C23 23N 40.76 24N 25O23 25C 77.49 24N 25O23 26N 73.33 24N 25O23 22C 39.68 25CA 25O23 23O 94.04 25CA 25O23 24C 37.72 25CA 25O23 19CD 69.69 25CA 25O23 19OE1 61.67 25CA 25O23 24CA 59.08 25CA 25O23 22O 98.54 25CA 25O23 162ND1 81.63 25CA 25O23 25C 13.70 25CA 25O23 26N 29.03 25CA 25O23 162CE1 73.11 23O 25O23 24C 58.97 23O 25O23 24CA 40.61 23O 25O23 22O 67.32 23O 25O23 23N 45.18 23O 25O23 25C 88.46 23O 25O23 26N 76.05 23O 25O23 22C 56.12 24C 25O23 19CD 76.06 24C 25O23 19OE1 79.00 24C 25O23 24CA 21.38 24C 25O23 22O 72.85 24C 25O23 23N 79.21 24C 25O23 25C 39.06 24C 25O23 26N 38.39 24C 25O23 22C 74.96 19CD 25O23 19OE1 17.16 19CD 25O23 24CA 81.63 19CD 25O23 22O 53.92 19CD 25O23 162ND1 75.34 19CD 25O23 23N 83.37 19CD 25O23 25C 83.39 19CD 25O23 26N 97.86 19CD 25O23 22C 67.74 19CD 25O23 162CE1 60.88 19OE1 25O23 24CA 90.13 19OE1 25O23 22O 71.06 19OE1 25O23 162ND1 60.32 19OE1 25O23 25C 74.84 19OE1 25O23 26N 90.69 19OE1 25O23 22C 84.88 19OE1 25O23 162CE1 45.33 24CA 25O23 22O 59.13 24CA 25O23 23N 58.89 24CA 25O23 25C 59.55 24CA 25O23 26N 55.16 24CA 25O23 22C 57.43 22O 25O23 23N 29.49 22O 25O23 22C 13.82 162ND1 25O23 25C 84.77 162ND1 25O23 26N 95.34 162ND1 25O23 162CE1 15.15 23N 25O23 22C 15.68 25C 25O23 26N 16.15 25C 25O23 162CE1 79.30 26N 25O23 162CE1 92.61 59O 25C24 610D2 91.98 59O 25C24 60CA 42.04 59O 25C24 61N 69.68 59O 25C24 60ND2 53.63 59O 25C24 60C 52.10 59O 25C24 59C 9.13 59O 25C24 67CD2 94.90 59O 25C24 61CB 94.67 59O 25C24 60N 25.18 59O 25C24 65O 98.75 59O 25C24 66CA 92.74 59O 25C24 61CG 94.59 61OD2 25C24 60CA 80.40 61OD2 25C24 61N 53.38 61OD2 25C24 60C 60.45 61OD2 25C24 59C 89.44 61OD2 25C24 61CB 30.44 61OD2 25C24 60N 85.15 61OD2 25C24 65O 70.09 61OD2 25C24 61CG 12.52 60CA 25C24 61N 33.63 60CA 25C24 60ND2 37.06 60CA 25C24 60C 20.13 60CA 25C24 59C 32.92 60CA 25C24 67CD2 94.92 60CA 25C24 61CB 64.63 60CA 25C24 60N 16.87 60CA 25C24 65O 56.77 60CA 25C24 66CA 57.08 60CA 25C24 61CG 74.69 61N 25C24 60ND2 64.13 61N 25C24 60C 17.58 61N 25C24 59C 61.42 61N 25C24 61CB 31.27 61N 25C24 60N 47.40 61N 25C24 65O 35.46 61N 25C24 66CA 57.56 61N 25C24 61CG 44.25 60ND2 25C24 60C 56.24 60ND2 25C24 67CE2 75.32 60ND2 25C24 59C 47.84 60ND2 25C24 67CD2 57.88 60ND2 25C24 61CB 93.87 60ND2 25C24 60N 39.84 60ND2 25C24 65O 66.16 60ND2 25C24 66CA 42.71 60C 25C24 59C 43.92 60C 25C24 61CB 46.05 60C 25C24 60N 30.63 60C 25C24 65O 50.56 60C 25C24 66CA 64.32 60C 25C24 61CG 54.63 67CE2 25C24 67CD2 17.47 67CE2 25C24 66CA 72.97 59C 25C24 67CD2 95.05 59C 25C24 61CB 88.03 59C 25C24 60N 16.05 59C 25C24 65O 89.64 59C 25C24 66CA 84.79 59C 25C24 61CG 90.22 67CD2 25C24 60N 94.87 67CD2 25C24 65O 94.21 67CD2 25C24 66CA 61.75 61CB 25C24 60N 76.56 61CB 25C24 65O 39.70 61CB 25C24 66CA 72.80 61CB 25C24 61CG 18.05 60N 25C24 65O 73.63 60N 25C24 66CA 70.86 60N 25C24 61CG 82.69 65O 25C24 66CA 33.53 65O 25C24 61CG 57.60 66CA 25C24 61CG 90.84 61OD2 25C25 61CB 42.75 61OD2 25C25 61N 69.21 61OD2 25C25 61CG 18.75 61OD2 25C25 65O 92.92 61OD2 25C25 60C 73.08 61OD2 25C25 61CA 51.10 61OD2 25C25 59O 97.68 61OD2 25C25 60CA 92.69 61OD2 25C25 610D1 17.96 61OD2 25C25 60O 63.26 61CB 25C25 61N 40.79 61CB 25C25 61CG 24.59 61CB 25C25 65O 50.21 61CB 25C25 60C 55.95 61CB 25C25 61CA 21.34 61CB 25C25 60CA 75.07 61CB 25C25 610D1 27.44 61CB 25C25 65C 60.47 61CB 25C25 60O 54.86 61CB 25C25 66CA 83.99 61N 25C25 61CG 58.00 61N 25C25 65O 42.60 61N 25C25 60C 18.61 61N 25C25 61CA 20.61 61N 25C25 59O 69.42 61N 25C25 60CA 34.61 61N 25C25 61OD1 62.35 61N 25C25 65C 54.60 61N 25C25 60O 25.90 61N 25C25 66CA 60.64 61CG 25C25 65O 74.72 61CG 25C25 60C 67.35 61CG 25C25 61CA 37.75 61CG 25C25 60CA 88.04 61CG 25C25 61OD1 4.51 61CG 25C25 65C 84.40 61CG 25C25 60O 60.77 65O 25C25 60C 58.12 65O 25C25 61CA 47.61 65O 25C25 60CA 61.97 65O 25C25 61OD1 77.08 65O 25C25 65C 12.55 65O 25C25 60O 68.17 65O 25C25 66CA 34.76 60C 25C25 61CA 34.62 60C 25C25 59O 51.04 60C 25C25 60CA 20.69 60C 25C25 61OD1 71.85 60C 25C25 65C 68.94 60C 25C25 60O 12.51 60C 25C25 66CA 66.29 61CA 25C25 59O 84.06 61CA 25C25 60CA 53.97 61CA 25C25 61OD1 41.99 61CA 25C25 65C 60.01 61CA 25C25 60O 34.68 61CA 25C25 66CA 75.36 59O 25C25 60CA 38.70 59O 25C25 60O 49.63 59O 25C25 66CA 83.86 60CA 25C25 61CD1 92.54 60CA 25C25 65C 69.48 60CA 25C25 60O 29.48 60CA 25C25 66CA 56.22 610D1 25C25 65C 86.17 610D1 25C25 60O 65.14 65C 25C25 60O 79.72 65C 25C25 66CA 29.00 60O 25C25 66CA 78.80 61CB 25C26 65O 57.98 61CB 25C26 61OD2 40.43 61CB 25C26 61CG 23.23 61CB 25C26 61N 39.07 61CB 25C26 65C 73.35 61CB 25C26 61CA 18.97 61CB 25C26 64O 64.81 61CB 25C26 66N 88.64 61CB 25C26 66CA 94.09 61CB 25C26 60C 49.39 61CB 25C26 65CA 72.50 61CB 25C26 64C 54.69 61CB 25C26 61OD1 25.08 61CB 25C26 60CA 66.90 65O 25C26 61OD2 96.74 65O 25C26 61CG 81.20 65O 25C26 61N 45.23 65O 25C26 65C 17.69 65O 25C26 61CA 49.81 65O 25C26 64O 56.41 65O 25C26 66N 30.68 65O 25C26 66CA 39.57 65O 25C26 60C 55.87 65O 25C26 65CA 28.89 65O 25C26 64C 44.41 65O 25C26 61OD1 82.28 65O 25C26 60CA 58.71 61OD2 25C26 61CG 19.08 61OD2 25C26 61N 60.79 61OD2 25C26 61CA 47.71 61OD2 25C26 64O 94.75 61OD2 25C26 60C 60.86 61OD2 25C26 64C 89.54 61OD2 25C26 61OD1 23.61 61OD2 25C26 60CA 75.67 61CG 25C26 61N 54.13 61CG 25C26 65C 96.40 61CG 25C26 61CA 36.24 61CG 25C26 64O 76.97 61CG 25C26 60C 59.38 61CG 25C26 65CA 93.65 61CG 25C26 64C 70.68 61CG 25C26 61OD1 7.62 61CG 25C26 60CA 76.74 61N 25C26 65C 62.37 61N 25C26 61CA 20.12 61N 25C26 64O 88.15 61N 25C26 66N 69.41 61N 25C26 66CA 64.66 61N 25C26 60C 13.98 61N 25C26 65CA 73.06 61N 25C26 64C 74.50 61N 25C26 61OD1 59.89 61N 25C26 60CA 28.83 65C 25C26 61CA 67.25 65C 25C26 64O 51.79 65C 25C26 66N 17.38 65C 25C26 66CA 33.55 65C 25C26 60C 71.82 65C 25C26 65CA 17.23 65C 25C26 64C 43.45 65C 25C26 61OD1 96.15 65C 25C26 60CA 71.11 61CA 25C26 64O 76.04 61CA 25C26 66N 79.28 61CA 25C26 66CA 79.89 61CA 25C26 60C 31.02 61CA 25C26 65CA 72.24 61CA 25C26 64C 63.54 61CA 25C26 61OD1 40.94 61CA 25C26 60CA 48.15 64O 25C26 66N 65.51 64O 25C26 66CA 84.31 64O 25C26 65CA 35.23 64O 25C26 64C 13.78 64O 25C26 61OD1 71.21 66N 25C26 66CA 19.09 66N 25C26 60C 75.28 66N 25C26 65CA 30.56 66N 25C26 64C 59.39 66N 25C26 60CA 69.05 66CA 25C26 60C 66.08 66CA 25C26 65CA 49.11 66CA 25C26 64C 76.99 66CA 25C26 60CA 55.34 60C 25C26 65CA 84.60 60C 25C26 64C 88.43 60C 25C26 61OD1 66.22 60C 25C26 60CA 17.82 65CA 25C26 64C 29.29 65CA 25C26 610D1 91.21 65CA 25C26 60CA 86.87 64C 25C26 610D1 66.22 64C 25C26 60CA 98.77 61OD1 25C26 60CA 83.78 65O 25C27 65C 19.69 65O 25C27 66N 35.95 65O 25C27 66CA 44.75 65O 25C27 65CA 32.29 65O 25C27 64O 53.20 65O 25C27 61CB 45.32 65O 25C27 66C 62.38 65O 25C27 61N 36.43 65O 25C27 61OD2 72.86 65O 25C27 66O 66.33 65C 25C27 66N 20.59 65C 25C27 66CA 38.16 65C 25C27 65CA 18.27 65C 25C27 64O 50.92 65C 25C27 61CB 62.98 65C 25C27 66C 52.26 65C 25C27 61N 55.57 65C 25C27 61OD2 91.46 65C 25C27 66O 51.89 66N 25C27 66CA 22.16 66N 25C27 65CA 32.66 66N 25C27 64O 68.31 66N 25C27 61CB 81.26 66N 25C27 66C 32.35 66N 25C27 61N 66.24 66N 25C27 67CD2 86.04 66N 25C27 66O 31.43 66CA 25C27 67CE2 84.05 66CA 25C27 65CA 53.89 66CA 25C27 64O 88.87 66CA 25C27 61CB 86.12 66CA 25C27 66C 18.33 66CA 25C27 61N 61.78 66CA 25C27 67CD2 68.00 66CA 25C27 67CZ 89.01 66CA 25C27 66O 27.54 67CE2 25C27 66C 68.52 67CE2 25C27 67CD2 16.65 67CE2 25C27 67CZ 16.31 67CE2 25C27 66O 70.63 65CA 25C27 64O 35.68 65CA 25C27 61CB 65.69 65CA 25C27 66C 64.52 65CA 25C27 61N 68.03 65CA 25C27 61OD2 94.09 65CA 25C27 66O 59.86 64O 25C27 61CB 54.95 64O 25C27 61N 76.01 64O 25C27 61OD2 75.54 64O 25C27 66O 93.93 61CB 25C27 61N 30.76 61CB 25C27 61OD2 28.82 66C 25C27 61N 78.83 66C 25C27 67CD2 53.68 66C 25C27 67CZ 71.38 66C 25C27 66O 13.90 61N 25C27 61OD2 45.79 61N 25C27 66O 89.25 67CD2 25C27 67CZ 28.76 67CD2 25C27 66O 58.30 67CZ 25C27 66O 69.31 67CE2 25C28 67CD2 23.52 67CE2 25C28 67CZ 20.96 67CE2 25C28 67OH 35.20 67CE2 25C28 66C 86.92 67CE2 25C28 67CG 33.10 67CE2 25C28 67N 73.57 67CE2 25C28 67CE1 29.88 67CE2 25C28 60ND2 85.55 67CE2 25C28 66O 85.99 67CE2 25C28 67CD1 33.21 67CD2 25C28 67CZ 38.76 67CD2 25C28 66CA 84.93 67CD2 25C28 67OH 56.87 67CD2 25C28 66C 66.69 67CD2 25C28 67CG 16.19 67CD2 25C28 67N 51.42 67CD2 25C28 67CE1 37.73 67CD2 25C28 60ND2 63.64 67CD2 25C28 66O 69.45 67CD2 25C28 67CD1 28.35 67CZ 25C28 67OH 19.51 67CZ 25C28 66C 88.11 67CZ 25C28 67CG 39.85 67CZ 25C28 67N 79.74 67CZ 25C28 67CE1 15.82 67CZ 25C28 66O 82.16 67CZ 25C28 67CD1 29.69 66CA 25C28 66C 21.36 66CA 25C28 66N 20.18 66CA 25C28 67CG 73.95 66CA 25C28 65O 39.39 66CA 25C28 67N 33.53 66CA 25C28 65C 33.20 66CA 25C28 67CE1 94.77 66CA 25C28 6OND2 46.84 66CA 25C28 66O 30.13 66CA 25C28 67CD1 79.87 67OH 25C28 67CG 59.35 67OH 25C28 67N 98.79 67OH 25C28 67CE1 31.87 67OH 25C28 66O 96.91 67OH 25C28 67CD1 48.13 66C 25C28 66N 33.87 66C 25C28 67CG 53.83 66C 25C28 65O 60.02 66C 25C28 67N 17.65 66C 25C28 65C 50.69 66C 25C28 67CE1 73.54 66C 25C28 60ND2 49.87 66C 25C28 66O 14.26 66C 25C28 67CD1 58.53 66N 25C28 67CG 86.97 66N 25C28 65O 30.60 66N 25C28 67N 50.32 66N 25C28 65C 17.37 66N 25C28 67CE1 99.34 66N 25C28 60ND2 66.19 66N 25C28 66O 33.91 66N 25C28 67CD1 87.99 67CG 25C28 67N 41.20 67CG 25C28 67CE1 31.84 67CG 25C28 60ND2 64.79 67CG 25C28 66O 54.35 67CG 25C28 67CD1 16.69 65O 25C28 67N 72.54 65O 25C28 65C 16.08 65O 25C28 60ND2 67.97 65O 25C28 66O 63.89 67N 25C28 65C 66.13 67N 25C28 67CE1 67.52 67N 25C28 60ND2 39.36 67N 25C28 66O 28.39 67N 25C28 67CD1 50.73 65C 25C28 60ND2 73.05 65C 25C28 66O 51.14 67CE1 25C28 60ND2 96.62 67CE1 25C28 66O 66.57 67CE1 25C28 67CD1 17.05 60ND2 25C28 66O 64.03 60ND2 25C28 67CD1 80.40 66O 25C28 67CD1 54.11 67CE2 25C29 67CD2 24.48 67CE2 25C29 60ND2 95.45 67CE2 25C29 67CZ 15.31 67CE2 25C29 66CA 94.75 67CE2 25C29 67CG 30.54 67CE2 25C29 67OH 29.52 67CE2 25C29 67N 69.16 67CE2 25C29 66C 76.62 67CE2 25C29 70OD1 69.19 67CD2 25C29 60ND2 70.99 67CD2 25C29 67CZ 35.94 67CD2 25C29 66CA 77.68 67CD2 25C29 67CG 11.52 67CD2 25C29 67OH 52.86 67CD2 25C29 67N 48.30 67CD2 25C29 66C 59.66 67CD2 25C29 70OD1 48.35 60ND2 25C29 59O 51.92 60ND2 25C29 66CA 47.48 60ND2 25C29 67CG 67.53 60ND2 25C29 67N 39.60 60ND2 25C29 60CA 34.92 60ND2 25C29 66C 48.58 60ND2 25C29 70OD1 36.76 60ND2 25C29 65O 66.66 59O 25C29 66CA 91.68 59O 25C29 67N 91.44 59O 25C29 60CA 36.13 59O 25C29 66C 99.32 59O 25C29 70OD1 57.47 59O 25C29 65O 87.31 67CZ 25C29 66CA 92.71 67CZ 25C29 67CG 37.70 67CZ 25C29 67OH 17.56 67CZ 25C29 67N 72.63 67CZ 25C29 66C 75.91 67CZ 25C29 70OD1 83.35 66CA 25C29 67CG 67.01 66CA 25C29 67N 30.81 66CA 25C29 60CA 57.52 66CA 25C29 66C 18.31 66CA 25C29 70OD1 76.75 66CA 25C29 65O 34.30 67CG 25C29 67OH 55.25 67CG 25C29 67N 38.92 67CG 25C29 66C 48.79 67CG 25C29 70OD1 52.17 67OH 25C29 67N 88.91 67OH 25C29 66C 89.71 67OH 25C29 70OD1 98.59 67N 25C29 60CA 68.41 67N 25C29 66C 16.09 67N 25C29 70OD1 52.40 67N 25C29 65O 64.97 60CA 25C29 66C 69.66 60CA 25C29 70OD1 64.85 60CA 25C29 65O 52.85 66C 25C29 70OD1 68.06 66C 25C29 65O 51.98 65C 25C30 66N 22.36 65C 25C30 65O 19.60 65C 25C30 65CA 24.11 65C 25C30 64O 60.69 65C 25C30 66CA 37.47 65C 25C30 64C 47.70 65C 25C30 65N 31.97 65C 25C30 66C 52.44 65C 25C30 66O 56.13 66N 25C30 65O 36.76 66N 25C30 65CA 39.03 66N 25C30 64O 81.12 66N 25C30 66CA 20.96 66N 25C30 64C 68.55 66N 25C30 65N 51.94 66N 25C30 66C 31.15 66N 25C30 66O 33.85 65O 25C30 65CA 37.88 65O 25C30 64O 60.O9 65O 25C30 66CA 42.53 65O 25C30 64C 47.65 65O 25C30 65N 37.00 65O 25C30 66C 60.78 65O 25C30 66O 69.10 65CA 25C30 64O 43.45 65CA 25C30 66CA 58.77 65CA 25C30 64C 32.33 65CA 25C30 65N 16.26 65CA 25C30 66C 69.64 65CA 25C30 66O 67.50 64O 25C30 66CA 98.08 64O 25C30 64C 13.08 64O 25C30 65N 29.19 66CA 25C30 64C 85.02 66CA 25C30 65N 69.41 66CA 25C30 66C 18.61 66CA 25C30 66O 30.64 64C 25C30 65N 16.80 64C 25C30 66C 99.65 64C 25C30 66O 99.64 65N 25C30 66C 83.08 65N 25C30 66O 82.93 66C 25C30 66O 15.25 66N 25O31 65C 17.32 66N 25O31 67CZ 97.91 66N 25O31 65CA 31.08 66N 25O31 64O 62.95 66N 25O31 66CA 17.26 66N 25O31 66O 33.20 66N 25O31 67CE1 92.81 66N 25O31 67CE2 86.83 66N 25O31 65O 26.88 66N 25O31 66C 29.04 65C 25O31 65CA 19.09 65C 25O31 64O 46.34 65C 25O31 66CA 30.23 65C 25O31 66O 50.48 65C 25O31 67CE2 97.89 65C 25O31 65O 13.61 65C 25O31 66C 45.49 67OH 25O31 67CZ 17.55 67OH 25O31 66CA 98.18 67OH 25O31 66O 90.84 67OH 25O31 67CE1 29.52 67OH 25O31 67CE2 29.04 67OH 25O31 66C 87.47 67CZ 25O31 66CA 81.60 67CZ 25O31 66O 73.49 67CZ 25O31 67CE1 16.52 67CZ 25O31 67CE2 16.35 67CZ 25O31 66C 69.99 65CA 25O31 64O 34.51 65CA 25O31 66CA 47.38 65CA 25O31 66O 60.33 65CA 25O31 65O 28.52 65CA 25O31 66C 59.78 64O 25O31 66CA 76.15 64O 25O31 66O 94.57 64O 25O31 65O 44.97 64C 25O31 66C 91.77 66CA 25O31 66O 28.82 66CA 25O31 67CE1 78.69 66CA 25O31 67CE2 69.71 66CA 25O31 65O 33.12 66CA 25O31 66C 17.65 66O 25O31 67CE1 63.44 66O 25O31 67CE2 68.73 66O 25O31 65O 58.85 66O 25O31 66C 14.31 67CE1 25O31 67CE2 28.45 67CE1 25O31 66C 63.77 67CE2 25O31 65O 93.08 67CE2 25O31 66C 61.53 65O 25O31 66C 50.53 66O 25C32 66N 36.46 66O 25C32 65CA 64.42 66O 25C32 65C 52.71 66O 25C32 67CE1 69.47 66O 25C32 66C 14.32 66O 25C32 67CZ 76.69 66O 25C32 66CA 29.45 66O 25C32 67OH 92.97 66N 25C32 65CA 31.01 66N 25C32 65C 16.26 66N 25C32 67CE1 96.14 66N 25C32 66C 30.68 66N 25C32 67CZ 95.21 66N 25C32 66CA 16.64 65CA 25C32 65C 18.68 65CA 25C32 66C 61.49 65CA 25C32 66CA 46.86 65C 25C32 66C 46.16 65C 25C32 66CA 29.55 67CE1 25C32 66C 67.09 67CE1 25C32 67CZ 16.76 67CE1 25C32 66CA 79.83 67CE1 25C32 67OH 29.00 66C 25C32 67CZ 70.31 66C 25C32 66CA 18.10 66C 25C32 67OH 85.85 67CZ 25C32 66CA 78.64 67CZ 25C32 67OH 16.35 66CA 25C32 67OH 92.05 67CE1 25O33 67CZ 18.11 67CE1 25O33 67OH 32.18 67CE1 25O33 66O 70.79 67CE1 25C33 67CD1 16.55 67CE1 25O33 2530H2 91.77 67CZ 25O33 67OH 17.82 67CZ 25O33 66O 76.31 67CZ 25O33 67CD1 30.29 67CZ 25O33 2530H2 94.53 67OH 25O33 66O 93.31 67OH 25O33 67CD1 47.11 67OH 25O33 2530H2 82.17 66O 25O33 67CD1 55.11 2530H2 25O33 160O 32.53 66O 25C34 66N 39.24 66O 25C34 65CA 72.10 66O 25C34 65C 54.84 66O 25C34 25SG 98.30 66O 25C34 66C 10.30 66N 25C34 65CA 33.35 66N 25C34 65C 15.62 66N 25C34 25SG 96.34 66N 25C34 66C 31.01 65CA 25C34 65C 18.75 65CA 25C34 25SG 85.74 65CA 25C34 66C 64.35 65C 25C34 25SG 95.57 65C 25C34 66C 46.29 25SG 25C34 161O 60.31 25SG 25C34 161C 66.90 161O 25C34 161C 14.93 66O 25C35 66C 7.49 66O 25C35 68CE 57.46 66O 25C35 66N 35.66 66O 25C35 163CB 89.86 66O 25C35 66CA 21.29 66C 25C35 68CE 64.25 66C 25C35 66N 32.33 66C 25C35 163CB 97.34 66C 25C35 66CA 16.42 68CE 25C35 66N 88.65 68CE 25C35 163CB 42.93 68CE 25C35 163N 71.03 68CE 25C35 66CA 78.09 66N 25C35 66CA 16.42 163CB 25C35 163N 28.84 66O 25C36 68CE 48.64 66O 25C36 67CD1 56.25 66O 25C36 67CE1 67.39 134CB 25C36 209CD2 53.33 134CB 25C36 68CE 70.27 134CB 25C36 160O 87.04 134CB 25C36 162N 72.66 134CB 25C36 160C 74.39 134CB 25C36 161C 86.84 134CB 25C36 161CA 88.42 134CB 25C36 161N 74.11 134CB 25C36 160CB 54.87 209CD2 25C36 68CE 80.58 209CD2 25C36 160O 88.38 209CD2 25C36 160C 87.02 209CD2 25C36 67CD1 54.52 209CD2 25C36 67CE1 55.35 209CD2 25C36 161N 98.98 209CD2 25C36 160CB 57.71 68CE 25C36 67CD1 70.75 68CE 25C36 67CE1 87.36 160O 25C36 162N 60.06 160O 25C36 160C 14.84 160O 25C36 161C 52.10 160O 25C36 161CA 34.02 160O 25C36 161N 27.16 160O 25C36 160CB 35.85 162N 25C36 16OC 49.38 162N 25C36 161C 15.90 162N 25C36 161CA 29.60 162N 25C36 161N 33.75 162N 25C36 160CB 69.36 160C 25C36 161C 45.30 160C 25C36 161CA 29.33 160C 25C36 161N 15.76 160C 25C36 160CB 29.68 161C 25C36 161CA 18.21 161C 25C36 161N 30.25 161C 25C36 160CB 71.28 161CA 25C36 161N 17.23 161CA 25C36 160CB 58.05 67CD1 25C36 67CE1 16.61 67CE1 25C36 160CB 96.33 161N 25C36 160CB 41.59 162N 25C37 162C 38.77 162N 25C37 163N 55.65 162N 25C37 162O 43.88 162N 25C37 161C 19.66 162N 25C37 161N 43.11 162N 25C37 162CA 20.61 162N 25C37 161CA 36.42 162N 25C37 16OC 61.64 162N 25C37 163CA 72.52 162N 25C37 163CB 88.83 162N 25C37 160O 71.57 162N 25C37 160CB 86.86 162N 25C37 134CA 86.74 162N 25C37 161O 27.40 162N 25C37 160CA 69.38 134CB 25C37 162C 80.90 134CB 25C37 163N 83.96 134CB 25C37 162O 64.46 134CB 25C37 161N 96.15 134CB 25C37 162CA 99.27 134CB 25C37 160C 92.07 134CB 25C37 163CA 69.42 134CB 25C37 163CB 75.64 134CB 25C37 160CB 64.54 134CB 25C37 134CA 17.37 134CB 25C37 16QCA 74.76 134CB 25C37 68CE 75.20 134CB 25C37 209CD2 53.65 162C 25C37 163N 20.04 162C 25C37 162O 18.39 162C 25C37 161C 56.63 162C 25C37 161N 77.75 162C 25C37 162CA 22.08 162C 25C37 161CA 75.17 162C 25C37 160C 94.90 162C 25C37 163CA 33.93 162C 25C37 163CB 51.74 162C 25C37 134CA 63.54 162C 25C37 161O 57.80 162C 25C37 160CA 95.14 162C 25C37 68CE 93.53 163N 25C37 162O 33.61 163N 25C37 161C 70.64 163N 25C37 161N 97.07 163N 25C37 162CA 35.65 163N 25C37 161CA 91.41 163N 25C37 163CA 19.33 163N 25C37 163CB 33.19 163N 25C37 134CA 67.66 163N 25C37 161O 67.69 163N 25C37 68CE 75.10 162O 25C37 161C 63.53 162O 25C37 161N 73.01 162O 25C37 162CA 34.99 162O 25C37 161CA 77.20 162O 25C37 16OC 87.26 162O 25C37 163CA 38.61 162O 25C37 163CB 58.25 162O 25C37 160CB 91.83 162O 25C37 134CA 47.36 162O 25C37 161O 68.76 162O 25C37 160CA 82.84 162O 25C37 68CE 96.46 161C 25C37 161N 37.46 161C 25C37 162CA 35.43 161C 25C37 161CA 21.87 161C 25C37 160C 54.49 161C 25C37 163CA 89.14 161C 25C37 160O 59.67 161C 25C37 160CB 85.75 161C 25C37 161O 13.22 161C 25C37 160CA 67.48 161N 25C37 162CA 63.61 161N 25C37 161CA 20.70 161N 25C37 160C 18.54 161N 25C37 160O 30.38 161N 25C37 160CB 48.33 161N 25C37 134CA 92.03 161N 25C37 161O 49.54 161N 25C37 160CA 30.13 162CA 25C37 161CA 55.77 162CA 25C37 160C 82.09 162CA 25C37 163CA 53.72 162CA 25C37 163CB 68.64 162CA 25C37 160O 92.06 162CA 25C37 134CA 82.32 162CA 25C37 161O 35.74 162CA 25C37 160CA 88.24 161CA 25C37 160C 34.21 161CA 25C37 160O 37.80 161CA 25C37 160CB 67.22 161CA 25C37 161O 31.20 161CA 25C37 160CA 49.65 160C 25C37 160O 15.98 160C 25C37 160CB 33.38 160C 25C37 134CA 93.50 160C 25C37 161O 65.32 160C 25C37 160CA 17.61 160C 25C37 209CD2 89.23 163CA 25C37 163CB 19.64 163CA 25C37 134CA 55.20 163CA 25C37 161O 86.98 163CA 25C37 68CE 59.96 163CB 25C37 134CA 65.55 163CB 25C37 161O 97.16 163CB 25C37 68CE 41.99 160O 25C37 160CB 38.98 160O 25C37 161O 67.69 160O 25C37 160CA 29.34 160O 25C37 209CD2 86.31 160CB 25C37 134CA 72.65 160CB 25C37 161O 97.76 160OB 25C37 160CA 18.30 160CB 25C37 209CD2 58.20 134CA 25C37 160CA 77.94 134CA 25C37 68CE 77.56 134CA 25C37 209CD2 71.01 161O 25C37 160CA 79.66 160CA 25C37 209CD2 76.48 68CE 25C37 209CD2 74.72 209CD2 25C38 67CD1 74.87 209CD2 25C38 67CE1 73.16 209CD2 25C38 134CB 65.56 209CD2 25C38 209CG 16.73 209CD2 25C38 67CG 84.81 67CD1 25C38 67CE1 20.70 67CD1 25C38 680E 89.96 67CD1 25C38 66O 66.53 67CD1 25C38 209CG 75.95 67CD1 25C38 67CG 12.21 67CD1 25C38 67CA 42.12 67CE1 25C38 66O 77.82 67CE1 25C38 209CG 80.22 67CE1 25C38 67CG 30.41 67CE1 25C38 67CA 60.82 68CE 25C38 134CB 80.62 68CE 25C38 66O 53.63 68CE 25C38 209CG 90.75 68CE 25C38 67CG 80.08 68CE 25C38 67CA 50.64 134CB 25C38 209CG 59.36 66O 25C38 67CG 54.73 66O 25C38 67CA 34.43 209CG 25C38 67CG 83.39 209CG 25C38 67CA 92.38 67CG 25C38 67CA 30.58 65CA 25C39 66N 39.58 65CA 25C39 66O 81.69 65CA 25C39 26CD1 58.77 65CA 25C39 65C 21.13 65CA 25C39 26CB 87.77 65CA 25C39 26CG 70.14 65CA 25C39 66C 70.43 65CA 25C39 65N 10.50 65CA 25C39 26N 97.84 65CA 25C39 66CA 51.95 65CA 25C39 23O 44.24 25SG 25C39 26CD1 80.82 25SG 25C39 26CB 77.99 25SG 25C39 26CG 82.69 25SG 25C39 26N 48.23 25SG 25C39 23O 74.80 25SG 25C39 161O 65.02 66N 25C39 66O 42.13 66N 25C39 26CD1 49.89 66N 25C39 65C 18.53 66N 25C39 26CB 61.31 66N 25C39 26CG 50.14 66N 25C39 66C 30.88 66N 25C39 65N 49.74 66N 25C39 26N 85.92 66N 25C39 66CA 12.40 66N 25C39 23O 70.96 66O 25C39 26CD1 64.20 66O 25C39 65C 60.58 66O 25C39 26CB 46.66 66O 25C39 26CG 51.76 66O 25C39 66C 11.26 66O 25C39 65N 91.86 66O 25C39 26N 76.72 66O 25C39 66CA 29.74 26CD1 25C39 65C 52.77 26CD1 25C39 26CB 33.76 26CD1 25C39 26CG 16.02 26CD1 25C39 66C 59.08 26CD1 25C39 65N 61.27 26CD1 25C39 26N 40.34 26CD1 25C39 66CA 52.43 26CD1 25C39 23O 46.03 65C 25C39 26CB 74.04 65C 25C39 26CG 59.01 65C 25C39 66C 49.32 65C 25C39 65N 31.45 65C 25C39 26N 92.79 65C 25C39 66CA 30.85 65C 25C39 23O 58.16 26CB 25C39 26CG 18.51 26CB 25C39 66C 48.81 26CB 25C39 65N 92.88 26CB 25C39 26N 30.42 26CB 25C39 66CA 55.33 26CB 25C39 23O 78.36 26CG 25C39 66C 49.18 26CG 25C39 65N 74.55 26CG 25C39 26N 35.79 26CG 25C39 66CA 48.23 26CG 25C39 23O 61.96 66C 25C39 65N 80.62 66C 25C39 26N 79.15 66C 25C39 66CA 18.48 66C 25C39 23O 96.37 65N 25C39 26N 97.76 65N 25C39 66CA 62.14 65N 25C39 23O 37.19 26N 25C39 66CA 83.19 26N 25C39 23O 67.94 66CA 25C39 23O 81.21 66N 25O40 66O 55.03 66N 25O40 26CD1 68.97 66N 25O40 65CA 46.68 66N 25O40 26CB 85.08 66N 25O40 26CG 70.07 66N 25O40 65C 21.06 66N 25O40 66C 40.07 66N 25O40 66CA 17.56 66N 25O40 26NE1 58.94 66N 25O40 65N 53.77 66N 25O40 23O 82.65 66N 25O40 26CD2 60.09 66N 25O40 65O 19.20 66N 25O40 26CE2 54.44 66O 25O40 26CD1 89.64 66O 25O40 26CB 63.20 66O 25O40 26CG 71.47 66O 25O40 65C 75.92 66O 25O40 66C 15.74 66O 25O40 66CA 38.45 66O 25O40 26N 99.32 66O 25O40 26NE1 91.06 66O 25O40 26CA 79.34 66O 25O40 26CD2 68.55 66O 25O40 65O 74.21 66O 25O40 68CE 47.85 66O 25O40 26CE2 78.85 26CD1 25O40 65CA 74.34 26CD1 25O40 26CB 46.12 26CD1 25O40 26CG 22.72 26CD1 25O40 65C 67.94 26CD1 25O40 66C 79.23 26CD1 25O40 66CA 69.49 26CD1 25O40 25SG 92.07 26CD1 25O40 26N 50.30 26CD1 25O40 26NE1 14.37 26CD1 25O40 26CA 50.84 26CD1 25O40 65N 70.61 26CD1 25O40 23O 51.41 26CD1 25O40 26CD2 21.35 26CD1 25O40 65O 66.27 26CD1 25O40 68CE 92.41 26CD1 25O40 26CE2 14.76 26CD1 25O40 25N 52.65 65CA 25O40 26CG 91.43 65CA 25O40 65C 25.75 65CA 25O40 66C 86.58 65CA 25O40 66CA 64.21 65CA 25O40 26NE1 60.05 65CA 25O40 65N 8.97 65CA 25O40 23O 48.18 65CA 25O40 26CD2 82.47 65CA 25O40 65O 27.92 65CA 25O40 26CE2 67.12 65CA 25O40 25N 97.61 26CB 25O40 26CG 24.84 26CB 25O40 65C 97.95 26CB 25O40 66C 63.62 26CB 25O40 66CA 72.60 26CB 25O40 25SG 89.79 26CB 25O40 26N 37.46 26CB 25O40 26NE1 58.62 26CB 25O40 26CA 19.07 26CB 25O40 23O 95.25 26CB 25O40 26CD2 33.11 26CB 25O40 65O 95.49 26CB 25O40 68CE 46.43 26CB 25O40 26CE2 49.00 26CB 25O40 25N 67.75 26CG 25O40 65C 77.41 26CG 25O40 66C 64.77 26CG 25O40 66CA 63.32 26CG 25O40 25SG 97.02 26CG 25O40 26N 44.89 26CG 25O40 26NE1 33.94 26CG 25O40 26CA 35.84 26CG 25O40 65N 89.76 26CG 25O40 23O 74.03 26CG 25O40 26CD2 10.27 26CG 25O40 65O 75.16 26CG 25O40 68CE 70.18 26CG 25O40 26CE2 24.36 26CG 25O40 25N 62.89 65C 25O40 66C 61.12 65C 25O40 66CA 38.51 65C 25O40 26NE1 54.62 65C 25O40 65N 32.73 65C 25O40 23O 65.00 65C 25O40 26CD2 67.24 65O 25O40 65O 2.52 66C 25O40 26CE2 55.73 66C 25O40 66CA 22.95 66C 25O40 26NE1 78.03 66C 25O40 26CA 81.98 66C 25O40 65N 93.83 66C 25O40 26CD2 59.43 66C 25O40 65O 59.25 66C 25O40 68CE 60.81 66C 25O40 26CE2 66.69 66CA 25O40 26NE1 63.40 66CA 25O40 26CA 91.57 66CA 25O40 65N 71.07 66CA 25O40 23O 96.11 66CA 25O40 26CD2 54.65 66CA 25O40 65O 36.50 66CA 25O40 68CE 82.71 66CA 25O40 26CE2 54.95 25SG 25O40 26N 53.76 25SG 25O40 26CA 70.74 25SG 25O40 23O 76.38 25SG 25O40 68CE 91.56 25SG 25O40 25N 39.87 26N 25O40 26NE1 64.06 26N 25O40 26CA 19.99 26N 25O40 23O 77.54 26N 25O40 26CD2 54.76 26N 25O40 68CE 65.32 26N 25O40 26CE2 62.82 26N 25O40 25N 33.74 26NE1 25O40 26CA 65.10 26NE1 25O40 65N 56.73 26NE1 25O40 23O 44.12 26NE1 25O40 26CD2 28.39 26NE1 25O40 65O 53.18 26NE1 25O40 26CE2 12.89 26NE1 25O40 25N 60.41 26CA 25O40 23O 91.40 26CA 25O40 26CD2 45.97 26CA 25O40 68CE 49.24 26CA 25O40 26CE2 59.06 26CA 25O40 25N 53.14 65N 25O40 23O 39.46 65N 25O40 26CD2 81.69 65N 25O40 65O 34.59 65N 25O40 26CE2 65.52 65N 25O40 25N 89.01 23O 25O40 26CD2 71.57 23O 25O40 65O 65.65 23O 25O40 26CE2 57.01 23O 25O40 25N 49.58 26CD2 25O40 65O 64.96 26CD2 25O40 68CE 75.92 26CD2 25O40 26CE2 16.58 26CD2 25O40 25N 69.33 65O 25O40 26CE2 53.78 68CE 25O40 26CE2 92.46 68CE 25O40 25N 97.92 26CE2 25O40 25N 67.27 25SG 25N41 161O 80.59 25SG 25N41 23O 90.56 25SG 25N41 26CD1 82.77 25SG 25N41 25CB 9.91 25SG 25N41 23C 79.09 25SG 25N41 25N 40.23 25SG 25N41 161C 80.64 25SG 25N41 26N 46.58 25SG 25N41 162CA 52.67 25SG 25N41 163N 39.29 65CA 25N41 23O 48.79 65CA 25N41 26CD1 53.27 65CA 25N41 66N 31.72 65CA 25N41 23C 63.36 65CA 25N41 65N 14.93 65CA 25N41 65C 15.53 65CA 25N41 25N 93.22 65CA 25N41 26N 91.88 161O 25N41 25CB 89.53 161O 25N41 161C 13.63 161O 25N41 162CA 33.89 161O 25N41 163N 62.20 23O 25N41 26CD1 48.03 23O 25N41 66N 68.57 23O 25N41 25CB 80.86 23O 25N41 23C 14.88 23O 25N41 65N 39.21 23O 25N41 65C 57.67 23O 25N41 25N 51.81 23O 25N41 26N 71.06 26CD1 25N41 66N 42.24 26CD1 25N41 25CB 74.76 26CD1 25N41 23C 56.38 26CD1 25N41 65N 58.93 26CD1 25N41 65C 46.09 26CD1 25N41 25N 50.77 26CD1 25N41 26N 38.61 26CD1 25N41 163N 98.70 66N 25N41 23C 82.86 66N 25N41 65N 46.23 66N 25N41 65C 16.19 66N 25N41 25N 92.91 66N 25N41 26N 75.02 25CB 25N41 23C 69.90 25CB 25N41 25N 30.33 25CB 25N41 161C 90.33 25CB 25N41 26N 40.90 25CB 25N41 162CA 62.56 25CB 25N41 163N 48.01 23C 25N41 65N 52.61 23C 25N41 65C 72.52 23C 25N41 25N 43.58 23C 25N41 26N 69.77 65N 25N41 65C 30.16 65N 25N41 25N 89.00 65N 25N41 26N 96.17 65C 25N41 25N 93.25 65C 25N41 26N 83.49 25N 25N41 26N 33.34 25N 25N41 162CA 92.88 25N 25N41 163N 75.53 161C 25N41 162CA 28.77 161C 25N41 163N 54.46 26N 25N41 162CA 89.00 26N 25N41 163N 62.08 162CA 25N41 163N 28.61 25SG 25C42 25N 61.47 25SG 25C42 25CB 23.02 25SG 25C42 24N 99.07 25SG 25C42 26N 58.96 25SG 25C42 25CA 42.76 25SG 25C42 24C 76.26 25SG 25C42 24CA 95.01 25SG 25C42 25C 46.56 25SG 25C42 26CG 94.70 25SG 25C42 26CB 80.63 23O 25C42 23C 20.90 23O 25C42 25N 72.70 23O 25C42 26CD1 61.41 23O 25C42 65CA 57.62 23O 25C42 23CA 37.29 23O 25C42 24N 34.67 23O 25C42 26N 92.67 23O 25C42 25CA 92.41 23O 25C42 24C 59.75 23O 25C42 24CA 39.73 23O 25C42 65N 43.51 23O 25C42 26NE1 46.24 23O 25C42 25C 96.61 23C 25C42 26CG 73.49 23O 25C42 66N 75.31 23O 25C42 65C 62.99 23O 25C42 26CB 90.54 23C 25C42 25N 60.95 23C 25C42 26CD1 74.34 23C 25C42 65CA 77.95 23C 25C42 25CB 94.36 23C 25C42 23CA 22.31 23C 25C42 24N 19.02 23C 25C42 26N 92.21 23C 25C42 25CA 80.52 23C 25C42 24C 52.38 23C 25C42 24CA 33.67 23C 25C42 65N 62.45 23C 25C42 26NE1 61.04 23C 25C42 25C 90.42 23C 25C42 26CC 85.04 23C 25C42 66N 95.80 23C 25C42 65C 83.89 25N 25C42 26CD1 66.35 25N 25C42 25CB 38.84 25N 25C42 23CA 73.38 25N 25C42 24N 41.94 25N 25C42 26N 41.41 25N 25C42 25CA 19.88 25N 25C42 24C 16.17 25N 25C42 24CA 33.54 25N 25C42 26NE1 68.49 25N 25C42 25C 31.76 25N 25C42 26CG 65.77 25N 25C42 26CB 67.36 26CD1 25C42 65CA 59.61 26CD1 25C42 25CB 93.02 26CD1 25C42 23CA 96.28 26CD1 25C42 24N 69.60 26CD1 25C42 26N 46.05 26CD1 25C42 25CA 73.18 26CD1 25C42 24C 52.84 26CD1 25C42 24CA 52.35 26CD1 25C42 65N 66.14 26CD1 25C42 26NE1 15.58 26CD1 25C42 25C 60.30 26CD1 25C42 26CG 12.37 26CD1 25C42 66N 42.73 26CD1 25C42 65C 47.92 26CD1 25C42 26CB 29.69 65CA 25C42 23CA 85.42 65CA 25C42 24N 91.42 65CA 25C42 24CA 88.16 65CA 25C42 65N 17.82 65CA 25C42 26NE1 51.70 65CA 25C42 26CG 67.28 65CA 25C42 66N 29.94 65CA 25C42 65C 14.64 65CA 25C42 26CB 78.77 25CB 25C42 23CA 97.37 25CB 25C42 24N 76.40 25CB 25C42 26N 48.95 25CE 25C42 25CA 21.77 25CB 25C42 24C 54.30 25CB 25C42 24CA 72.26 25CB 25C42 25C 33.23 25CB 25C42 26CG 86.02 25CB 25C42 26CB 76.81 23CA 25C42 24N 35.27 23CA 25C42 25CA 90.57 23CA 25C42 24C 69.58 23CA 25C42 24CA 53.60 23CA 25C42 65N 67.73 23CA 25C42 26NE1 82.24 23CA 25C42 65C 95.61 24N 25C42 26N 75.74 24N 25C42 25CA 61.52 24N 25C42 24C 34.63 24N 25C42 24CA 19.12 24N 25C42 65N 78.18 24N 25C42 26NE1 60.00 24N 25C42 25C 71.96 24N 25C42 26CG 77.77 24N 25C42 65C 93.70 24N 25C42 26CB 89.98 26N 25C42 25CA 34.07 26N 25C42 24C 41.33 26N 25C42 24CA 58.54 26N 25C42 25NE1 58.48 26N 25C42 25C 16.06 26N 25C42 25CG 37.28 26N 25C42 66N 80.08 26N 25C42 65C 91.09 26N 25C42 25CB 29.32 25CA 25C42 24C 33.53 25CA 25C42 24CA 52.86 25CA 25C42 26NE1 80.09 25CA 25C42 25C 18.89 25CA 25C42 26CG 68.25 25CA 25C42 26CB 63.36 24C 25C42 24CA 20.14 24C 25C42 65N 97.32 24C 25C42 26NE1 52.89 24C 25C42 25C 38.23 24C 25C42 26CG 54.87 24C 25C42 66N 95.24 24C 25C42 65C 96.26 24C 25C42 26CB 60.96 24CA 25C42 65N 79.58 24CA 25C42 26NE1 45.69 24CA 25C42 25C 58.08 24CA 25C42 26CG 59.27 24CA 25C42 66N 89.86 24CA 25C42 65C 85.80 24CA 25C42 26CB 70.86 65N 25C42 26NE1 54.04 65N 25C42 26CG 76.36 65N 25C42 66N 46.51 65N 25C42 65C 30.57 65N 25C42 26CB 90.76 26NE1 25C42 25C 70.82 26NE1 25C42 26CG 27.95 26NE1 25C42 66N 44.28 26NE1 25C42 65C 43.42 26NE1 25C42 26CB 45.27 25C 25C42 26CG 52.79 25C 25C42 66N 96.14 25C 25C42 26CB 45.17 26CG 25C42 66N 44.88 26CG 25C42 65C 53.98 26CG 25C42 26CB 17.32 66N 25C42 65C 15.94 66N 25C42 26CB 51.51 65C 25C42 26CB 64.35 66N 25N43 65CA 39.20 66N 25N43 66O 42.83 66N 25N43 65C 19.66 66N 25N43 66C 33.44 66N 25N43 66CA 16.52 66N 25N43 64O 67.91 66N 25N43 65O 24.48 66N 25N43 65N 47.82 65CA 25N43 66O 79.74 65CA 25N43 65C 22.72 65CA 25N43 66C 72.52 65CA 25N43 66CA 54.97 65CA 25N43 64O 35.80 65CA 25N43 65O 27.77 65CA 25N43 65N 9.59 66O 25N43 65C 62.50 66O 25N43 66C 14.75 66O 25N43 66CA 32.80 66O 25N43 65O 66.04 66O 25N43 65N 89.14 65C 25N43 66C 52.38 65C 25N43 66CA 33.37 65C 25N43 64O 48.27 65C 25N43 65O 9.39 65C 25N43 65N 29.76 65C 25N43 66CA 19.82 65C 25N43 64O 99.32 65C 25N43 65O 54.13 65C 25N43 65N 81.27 66CA 25N43 64O 79.51 66CA 25N43 65O 34.33 66CA 25N43 65N 62.98 64O 25N43 65O 45.20 64O 25N43 65N 26.86 65O 25N43 65N 32.42

TABLE XVII Table of angles between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor 4-[N-[(4- pyridylmethoxy)carbonyl]-L-leucyl]-1-[N- (phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone Atom 1 Atom 2 Atom 3 Angle Atom 1 Atom 2 Atom 3 Angle 67CE2 25C1 67CD2 21.66 67CE2 25C1 60ND2 88.40 67CE2 25C1 67CZ 15.07 67CE2 25C1 231OH2 72.49 67CE2 25C1 67OH 28.98 67CE2 25C1 66CA 80.69 67CE2 25C1 67CG 26.79 67CE2 25C1 70ND2 78.17 67CD2 25C1 60ND2 67.38 67CD2 25C1 67CZ 33.45 67CD2 25C1 231OH2 62.87 67CD2 25C1 67OH 49.60 67CD2 25C1 66CA 68.97 67CD2 25C1 67CG 10.46 67CD2 25C1 70ND2 58.29 60ND2 25C1 67CZ 95.36 60ND2 25C1 59O 49.64 60ND2 25C1 231OH2 73.76 60ND2 25C1 66CA 42.03 60ND2 25C1 65O 60.94 60ND2 25C1 67CG 61.96 60ND2 25C1 70ND2 36.62 67CZ 25C1 231OH2 87.30 67CZ 25C1 67OH 16.70 67CZ 25C1 66CA 77.40 67CZ 25C1 67CG 34.47 67CZ 25C1 70ND2 91.66 59O 25C1 231OH2 59.15 59O 25C1 66CA 86.93 59O 25C1 65O 85.11 59O 25C1 70ND2 43.49 231OH2 25C1 67OH 96.03 231OH2 25C1 67CG 71.00 231OH2 25C1 70ND2 37.14 67OH 25C1 66CA 87.65 67OH 25C1 67CG 51.17 66CA 25C1 65O 33.94 66CA 25C1 67CG 58.73 66CA 25C1 70ND2 75.50 65O 25C1 67CG 92.09 65O 25C1 70ND2 97.34 67CG 25C1 70ND2 60.11 67CE2 25C2 67CZ 20.70 67CE2 25C2 67CD2 20.73 67CE2 25C2 67OH 36.29 67CE2 25C2 66CA 91.85 67CE2 25C2 67CE1 28.15 67CE2 25C2 60ND2 82.91 67CE2 25C2 66C 74.08 67CE2 25C2 67CG 28.19 67CE2 25C2 67N 63.54 67CZ 25C2 67CD2 36.53 67CZ 25C2 67OH 19.80 67CZ 25C2 66CA 91.39 67CZ 25C2 66N 97.52 67CZ 25C2 67CE1 14.08 67CZ 25C2 60ND2 96.48 67CZ 25C2 66C 73.78 67CZ 25C2 67CG 36.08 67CA 25C2 67N 68.45 67CD2 25C2 67OH 55.27 67CD2 25C2 66CA 75.10 67CD2 25C2 66N 89.93 67CD2 25C2 67CE1 35.97 67CD2 25C2 60ND2 62.30 67CD2 25C2 66C 58.50 67CD2 25C2 67CG 13.99 67CD2 25C2 67N 45.40 67OH 25C2 67CE1 30.01 67OH 25C2 66C 90.02 67OH 25C2 67CG 55.88 67OH 25C2 67N 87.15 66CA 25C2 65O 39.05 66CA 25C2 66N 18.31 66CA 25C2 65C 31.60 66CA 25C2 67CE1 77.85 66CA 25C2 60ND2 42.40 66CA 25C2 66C 17.99 66CA 25C2 67CG 63.85 66CA 25C2 67N 29.89 65O 25C2 66N 29.44 65O 25C2 65C 15.02 65O 25C2 60ND2 62.06 65O 25C2 66C 56.82 65O 25C2 67N 68.16 66N 25C2 65C 16.65 66N 25C2 67CE1 83.45 66N 25C2 60ND2 59.05 66N 25C2 66C 31.58 66N 25C2 67CG 77.19 66N 25C2 67N 46.44 65C 25C2 67CE1 99.01 65C 25C2 60ND2 65.42 65C 25C2 66C 47.55 65C 25C2 67CG 29.84 67CE1 25C2 67N 61.39 67CE1 25C2 60ND2 88.93 67CE1 25C2 66C 60.58 67CE1 25C2 67CG 29.84 67CE1 25C2 67N 57.26 60ND2 25C2 66C 44.34 60ND2 25C2 67CG 60.48 60ND2 25C2 67N 35.75 66C 25C2 67CG 46.38 66C 25C2 67N 15.93 67CG 25C2 67N 35.42 65O 25C3 65C 17.88 65O 25C3 66CA 41.69 65O 25C3 66N 32.43 65O 25C3 61CB 43.31 65O 25C3 65CA 28.80 65O 25C3 61CG 61.48 65O 25C3 61OD1 68.40 65C 25C3 66CA 35.13 65C 25C3 66B 18.49 65C 25C3 61CB 59.01 65C 25C3 65CA 16.90 65C 25C3 61CG 77.19 65C 25C3 61OD1 85.63 66CA 25C3 66N 20.18 66CA 25C3 67CE2 75.24 66CA 25C3 61CB 82.37 66CA 25C3 65CA 50.05 66CA 25C3 61CG 99.19 66CA 25C3 67CZ 76.99 66CA 25C3 67OH 90.94 66N 25C3 67CE2 90.18 66N 25C3 61CB 75.69 66N 25C3 65CA 30.59 66N 25C3 61CG 93.89 66N 25C3 67CZ 87.56 66N 25C3 67OH 98.55 67CE2 25C3 67CZ 16.06 67CE2 25C3 67OH 28.37 61CB 25C3 65CA 59.68 61CB 25C3 61CG 18.24 61CB 25C3 61OD1 28.38 65CA 25C3 61CG 76.44 65CA 25C3 61OD1 88.03 61CG 25C3 61OD1 14.65 67CZ 25C3 67OH 15.78 65O 25C4 61CG 81.72 65O 25C4 61CB 56.74 65O 25C4 61OD1 92.04 65O 25C4 61OD2 90.06 65O 25C4 65C 13.06 65O 25C4 61N 47.80 65O 25C4 61CA 52.82 65O 25C4 66CA 34.06 65O 25C4 66N 23.80 65O 25C4 60C 59.87 65O 25C4 65CA 23.94 61CG 25C4 61CB 24.99 61CG 25C4 61OD1 20.63 61CG 25C4 61OD2 17.88 61CG 25C4 65C 91.97 61CG 25C4 61N 50.91 61CG 25C4 61CA 33.78 61CG 25C4 60C 56.14 61CG 25C4 65CA 87.08 61CB 25C4 61OD1 39.37 61CB 25C4 61OD2 36.30 61CB 25C4 65C 67.18 61CB 25C4 61N 35.38 61CB 25C4 61CA 16.65 61CB 25C4 66CA 87.99 61CB 25C4 66N 80.49 61CB 25C4 60C 47.22 61CB 25C4 65CA 64.13 61OD1 25C4 61OD2 33.84 61OD1 25C4 61N 49.82 61OD1 25C4 61CA 39.25 61OD1 25C4 60C 48.15 61OD2 25C4 65C 97.59 61OD2 25C4 61N 67.70 61OD2 25C4 61CA 49.40 61OD2 25C4 60C 73.98 61OD2 25C4 65CA 88.32 65C 25C4 61N 60.83 65C 25C4 61CA 65.24 65C 25C4 66CA 30.77 65C 25C4 66N 15.04 65C 25C4 60C 72.43 65C 25C4 65CA 16.09 61N 25C4 61CA 19.04 61N 25C4 66CA 65.40 61N 25C4 66N 67.36 61N 25C4 60C 15.56 61N 25C4 65CA 68.40 61CA 25C4 66CA 78.91 61CA 25C4 66N 75.90 61CA 25C4 60C 30.75 61CA 25C4 65CA 67.27 66CA 25C4 66N 17.65 66CA 25C4 60C 69.36 66CA 25C4 65CA 45.82 66N 25C4 60C 75.84 66N 25C4 65CA 28.52 60C 25C4 65CA 82.21 61OD1 25C5 61CG 21.34 61OD1 25C5 61CB 38.98 61OD1 25C5 61N 54.59 61OD1 25C5 65O 86.61 61OD1 25C5 60C 57.24 61OD1 25C5 61OD2 31.11 61OD1 25C5 59O 91.41 61OD1 25C5 60CA 77.36 61OD1 25C5 61CA 39.29 61OD1 25C5 60O 47.14 61CG 25C5 61CB 23.42 61CG 25C5 61N 53.21 61CG 25C5 65O 71.11 61CG 25C5 60C 63.55 61CG 25C5 61OD2 15.46 61CG 25C5 60CA 84.04 61CG 25C5 61CA 34.30 61CG 25C5 60O 58.88 61CB 25C5 61N 36.38 61CB 25C5 65O 48.37 61CB 25C5 60C 52.26 61CB 25C5 61OD2 34.12 61CB 25C5 60CA 70.23 61CB 25C5 61CA 19.16 61CB 25C5 60O 54.58 61CB 25C5 60ND2 92.51 61N 25C5 65O 46.30 61N 25C5 60C 18.83 61N 25C5 61OD2 67.79 61N 25C5 59O 68.18 61N 25C5 60CA 33.92 61N 25C5 61CA 19.02 61N 25C5 60O 29.73 61N 25C5 60ND2 59.73 65O 25C5 60C 62.13 65O 25C5 61OD2 76.92 65O 25C5 59O 97.98 65O 25C5 60CA 63.97 65O 25C5 61CA 50.38 65O 25C5 60O 75.74 65O 25C5 60ND2 60.02 60C 25C5 61OD2 79.00 60C 25C5 59O 50.32 60C 25C5 60CA 20.70 60C 25C5 61CA 33.16 60C 25C5 60O 15.46 60C 25C5 60ND2 54.15 61OD2 25C5 60CA 99.43 61OD2 25C5 61CA 48.77 61OD2 25C5 60O 73.92 59O 25C5 60CA 36.41 59O 25C5 61CA 83.15 59O 25C5 60O 49.36 59O 25C5 60ND2 45.49 60CA 25C5 61CA 51.88 60CA 25C5 60O 31.33 60CA 25C5 60ND2 34.90 61CA 25C5 60O 36.38 61CA 25C5 60ND2 78.49 60O 25C5 60ND2 66.22 59O 25C6 61OD1 84.33 59O 25C6 60CA 37.74 59O 25C6 60ND2 52.70 59O 25C6 60C 49.43 59O 25C6 59C 7.16 59O 25C6 231OH2 61.67 59O 25C6 65O 96.01 59O 25C6 61N 65.44 59O 25C6 61CG 94.50 61OD1 25C6 60CA 67.00 61OD1 25C6 60C 47.52 61OD1 25C6 59C 79.80 61OD1 25C6 65O 65.95 61OD1 25C6 61N 43.14 61OD1 25C6 61CG 14.44 60CA 25C6 60ND2 38.07 60CA 25C6 60C 19.60 60CA 25C6 59C 30.68 60CA 25C6 231OH2 90.52 60CA 25C6 65O 58.49 60CA 25C6 61N 31.11 60CA 25C6 61CG 70.16 60ND2 25C6 60C 55.78 60ND2 25C6 59C 49.33 60ND2 25C6 231OH2 69.41 60ND2 25C6 65O 60.19 60ND2 25C6 61N 59.59 60ND2 25C6 67CE2 71.07 60C 25C6 59C 42.53 60C 25C6 65O 53.64 60C 25C6 61N 16.42 60C 25C6 61CG 50.89 59C 25C6 231OH2 67.54 59C 25C6 65O 89.09 59C 25C6 61N 58.40 59C 25C6 61CG 89.02 231OH2 25C6 67CE2 58.91 65O 25C6 61N 38.82 65O 25C6 61CG 54.53 65O 25C6 67CE2 90.16 61N 25C6 61CG 41.32 65C 25C7 65C 20.61 65O 25C7 66N 35.57 65C 25C7 65CA 37.59 65O 25C7 64O 63.61 65O 25C7 66CA 40.23 65O 25C7 65N 36.78 65O 25C7 64C 50.16 65C 25C7 66N 20.13 65C 25C7 65CA 22.56 65C 25C7 64O 58.37 65C 25C7 66CA 34.64 65C 25C7 65N 30.89 65C 25C7 64C 46.81 66N 25C7 65CA 35.80 66N 25C7 64O 74.14 66N 25C7 66CA 19.87 66N 25C7 65N 48.83 66N 25C7 64C 64.44 65CA 25C7 64O 38.35 65CA 25C7 66CA 54.61 65CA 25C7 65N 16.17 65CA 25C7 64C 29.70 64C 25C7 66CA 92.52 64O 25C7 65N 28.03 64O 25C7 64C 13.53 66CA 25C7 65N 65.51 66CA 25C7 64C 81.44 66CA 25C7 67OH 89.07 65N 25C7 64C 15.93 66N 25O8 65C 20.16 66N 25O8 66CA 21.24 66N 25O8 65O 33.23 66N 25O8 65CA 33.75 66N 25O8 67CE1 98.44 66N 25O8 67CE2 98.98 66N 25O8 66C 34.36 66N 25O8 66O 36.02 66N 25O8 64O 65.86 65C 25O8 66CA 35.77 65C 25O8 65O 17.66 65C 25O8 65CA 20.48 65C 25O8 66C 52.97 65C 25O8 66O 56.18 65C 25O8 64O 48.74 66CA 25O8 65O 39.76 66CA 25O8 67CZ 88.60 66CA 25O8 65CA 53.75 66CA 25O8 67CE1 82.16 66CA 25O8 67CE2 78.01 66CA 25O8 66C 19.45 66CA 25O8 66O 29.94 66CA 25O8 64O 84.46 67OH 25O8 67CZ 19.19 67OH 25O8 67CE1 31.81 67OH 25O8 67CE2 31.82 67OH 25O8 66C 93.01 67OH 25O8 66O 95.44 65O 25O8 65CA 33.40 65O 25O8 66C 59.16 65O 25O8 66O 66.79 65O 25O8 64O 51.69 67CZ 25O8 67CE1 17.96 67CZ 25O8 67CE2 17.62 67CZ 25O8 66C 73.92 67CZ 25O8 66O 77.47 65CA 25O8 66C 67.93 65CA 25O8 66O 66.32 65CA 25O8 64O 32.46 67CE1 25O8 67CE2 30.82 67CE1 25O8 66C 64.46 67CE1 25O8 66O 64.18 67CE2 25O8 66C 67.34 67CE2 25O8 66O 75.18 66C 25O8 66O 15.05 66O 25O8 64O 98.36 66N 25C9 65C 19.56 66N 25C9 65CA 35.74 66N 25C9 66CA 18.50 66N 25C9 65O 29.44 66N 25C9 66O 37.27 66N 25C9 64O 68.91 66N 25C9 66C 32.34 66N 25C9 67CE1 91.45 66N 25C9 67CZ 94.14 65C 25C9 65CA 21.89 65C 25C9 66CA 33.21 65C 25C9 65O 14.71 65C 25C9 66O 56.83 65C 25C9 64O 50.85 65C 25C9 66C 50.46 65CA 25C9 66CA 53.09 65CA 25C9 65O 31.99 65CA 25C9 66O 69.79 65CA 25C9 64O 34.59 65CA 25C9 66C 67.96 66CA 25C9 65O 35.79 66CA 25C9 66O 30.43 66CA 25C9 64O 83.99 66CA 25C9 66C 18.68 66CA 25C9 67OH 90.57 66CA 25C9 67CE1 74.02 66CA 25C9 67CZ 75.67 65O 25C9 66O 64.42 65O 25C9 64O 51.51 65O 25C9 66C 54.47 65O 25C9 67CZ 97.86 66O 25C9 66C 15.18 66O 25C9 67OH 88.11 66O 25C9 67CE1 62.23 66O 25C9 67CZ 72.01 66C 25C9 67OH 81.72 66C 25C9 67CE1 59.79 66C 25C9 67CZ 65.61 67OH 25C9 67CE1 28.34 67OH 25C9 67CZ 16.24 67CE1 25C9 67CZ 16.27 65CA 25O10 64O 37.93 65CA 25O10 65C 19.98 65CA 25O10 66N 32.25 64O 25O10 65C 52.12 64O 25O10 66N 68.39 65C 25O10 66N 17.19 66N 25N11 66O 46.02 66N 25N11 66C 38.85 66N 25N11 66CA 20.73 66N 25N11 65C 17.46 66N 25N11 65CA 33.59 66N 25N11 67CD1 91.49 66N 25N11 65O 24.15 66N 25N11 67N 48.38 66O 25N11 66C 17.87 66O 25N11 66CA 35.52 66O 25N11 65C 63.48 66O 25N11 67CE1 75.71 66O 25N11 65CA 76.62 66O 25N11 67CZ 83.40 66O 25N11 67CD1 58.50 66O 25N11 67OH 99.66 66O 25N11 65O 67.57 66O 25N11 67N 24.87 66C 25N11 66CA 21.72 66C 25N11 65C 54.97 66C 25N11 67CE1 70.15 66C 25N11 65CA 72.37 66C 25N11 67CZ 73.23 66C 25N11 67CD1 54.55 66C 25N11 67OH 88.69 66C 25N11 65O 55.57 66C 25N11 67N 11.56 66CA 25N11 65C 34.29 66CA 25N11 67CE1 83.75 66CA 25N11 65CA 53.45 66CA 25N11 67CZ 81.15 66CA 25N11 67CD1 71.00 66CA 25N11 67OH 93.79 66CA 25N11 65O 33.86 66CA 25N11 67N 28.86 65C 25N11 65CA 20.50 65C 25N11 65O 12.17 65C 25N11 67N 63.15 67CE1 25N11 67CZ 16.97 67CE1 25N11 67CD1 17.33 67CE1 25N11 67OH 28.98 67CE1 25N11 67N 58.73 65CA 25N11 65O 29.33 65CA 25N11 67N 81.90 67CZ 25N11 67CD1 29.85 67CZ 25N11 67OH 16.29 67CZ 25N11 65O 95.29 67CZ 25N11 67N 61.81 67CD1 25N11 67OH 44.88 67CD1 25N11 65O 98.49 67CD1 25N11 67N 43.62 67OH 25N11 67N 77.48 65O 25N11 67N 61.50 66O 25C12 66N 39.81 66C 25C12 66C 13.28 66O 25C12 65CA 68.49 66O 25C12 66CA 28.41 66O 25C12 65C 53.90 66N 25C12 66C 32.53 66N 25C12 65CA 30.03 66N 25C12 66CA 16.05 66N 25C12 65C 14.10 161O 25C12 161C 14.53 66C 25C12 65CA 62.55 66C 25C12 66CA 17.90 66C 25C12 65C 45.95 65CA 25C12 66CA 45.67 65CA 25C12 65C 17.89 66CA 25C12 65C 28.39 66O 25C13 66N 46.61 66O 25C13 65CA 81.12 66O 25C13 26CB 42.40 66O 25C13 66C 12.53 66O 25C13 26CD1 59.74 66O 25C13 65C 61.86 66O 25C13 66CA 31.09 66O 25C13 26CG 46.38 66O 25C13 26N 73.59 66N 25C13 65CA 34.83 66N 25C13 26CB 65.68 66N 25C13 66C 35.92 66N 25C13 26CD1 50.75 66N 25C13 65C 15.26 66N 25C13 66CA 16.54 66N 25C13 26CG 52.33 66N 25C13 26N 87.54 25SG 25C13 26CB 74.78 25SG 25C13 26CD1 73.77 25SG 25C13 26CG 78.01 25SG 25C13 26N 43.94 255G 25C13 161O 62.15 65CA 25C13 26CB 87.36 65CA 25C13 66C 70.75 65CA 25C13 26CD1 57.53 65CA 25C13 65C 20.04 65CA 25C13 66CA 51.26 65CA 25C13 26CG 69.09 65CA 25C13 26N 94.25 26CB 25C13 66C 51.08 26CB 25C13 26CD1 34.05 26CB 25C13 65C 76.87 26CB 25C13 66CA 59.32 26CB 25C13 26CG 18.75 26CB 25C13 26N 31.21 66C 25C13 26CD1 60.72 66C 25C13 65C 50.94 66C 25C13 66CA 19.59 66C 25C13 26CG 50.32 66C 25C13 26N 81.92 26CD1 25C13 65C 54.60 26CD1 25C13 66CA 55.37 26CD1 25C13 26CG 16.44 26CD1 25C13 26N 38.73 65C 25C13 66CA 31.37 65C 25C13 26CG 60.91 65C 25C13 26N 93.30 66CA 25C13 26CG 51.05 66CA 25C13 26N 86.68 26CG 25C13 26N 35.89 25SG 25N14 23O 84.00 25SG 25N14 26CD1 79.14 255G 25N14 161O 68.92 25SG 25N14 26N 43.55 25SG 25N14 23C 74.81 255G 25N14 26CB 70.46 25SG 25N14 26CG 77.79 65CA 25N14 66N 36.05 65CA 25N14 23O 53.08 65CA 25N14 26CD1 61.64 65CA 25N14 65C 18.94 65CA 25N14 660 73.48 65CA 25N14 65N 12.48 65CA 25N14 26N 99.87 65CA 25N14 23C 64.69 65CA 25N14 26CB 84.32 65CA 25N14 26CG 69.23 66N 25N14 23O 73.08 66N 25N14 26CD1 49.53 66N 25N14 65C 17.28 66N 25N14 66O 37.50 66N 25N14 65N 47.78 66N 25N14 26N 82.41 66N 25N14 23C 86.05 66N 25N14 26CB 56.95 66N 25N14 26CG 48.25 23O 25N14 26CD1 46.64 23O 25N14 65C 63.98 23O 25N14 66O 96.33 23O 25N14 65N 44.52 23O 25N14 26N 67.73 23O 25N14 23C 13.02 23O 25N14 26CB 76.26 23O 25N14 26CG 60.45 26CD1 25N14 65C 55.15 26CD1 25N14 66O 52.89 26CD1 25N14 65N 64.1l 26CD1 25N14 26N 38.34 26CD1 25N14 23C 54.90 26CD1 25N14 26CB 30.70 26CD1 25N14 26CG 13.86 65C 25N14 66O 54.77 65C 25N14 65N 31.08 65C 25N14 26N 92.32 65C 25N14 23C 76.79 65C 25N14 26CB 70.71 65C 25N14 26CG 58.49 66O 25N14 65N 84.80 66O 25N14 26N 64.25 66O 25N14 26CB 35.42 66O 25N14 26CG 41.33 65N 25N14 23C 54.87 65N 25N14 26CB 90.63 65N 25N14 26CG 74.10 26N 25N14 23C 67.48 26N 25N14 26CB 29.19 26N 25N14 26CG 34.32 23C 25N14 26CB 82.14 23C 25N14 26CG 68.17 26CB 25N14 26CG 17.47 161O 25C15 25SG 89.42 161O 25C15 161C 13.49 161O 25C15 162CA 34.91 161O 25C15 162N 23.43 161O 25C15 161CA 23.63 25SG 25C15 161C 88.53 25SG 25C15 162CA 57.17 25SG 25C15 162N 74.53 161C 25C15 162CA 31.37 161C 25C15 162N 14.79 161C 25C15 161CA 16.28 162CA 25C15 162N 17.76 162CA 25C15 161CA 46.94 162N 25C15 161CA 29.37 65CA 25C15 230OH2 72.79 25SG 25C16 26N 61.11 25SG 25C16 25N 59.97 25SG 25C16 25CB 23.02 25SG 25C16 25CA 42.42 255G 25C16 26CB 88.58 25SG 25C16 24N 92.96 25SG 25C16 25C 48.34 25SG 25C16 24C 74.43 25SG 25C16 26CA 71.25 25SG 25C16 24CA 91.58 23O 25C16 26CD1 61.77 23O 25C16 26N 94.53 23O 25C16 25N 67.24 23O 25C16 23C 18.20 23O 25C16 65CA 58.52 23O 25C16 25CA 87.06 23O 25C16 26CG 77.13 23O 25C16 26NE4 47.29 23O 25C16 26CB 97.08 23O 25C16 66N 79.63 23O 25C16 24N 30.53 23O 25C16 23CA 32.27 23O 25C16 25C 94.82 23O 25C16 24C 56.19 23O 25C16 26CA 99.54 23O 25C16 24CA 36.83 23O 25C16 65C 67.39 23O 25C16 65N 45.21 26CD1 25C16 26N 51.13 26CD1 25C16 25N 68.54 26CD1 25C16 23C 73.51 26CD1 25C16 65CA 68.04 26CD1 25C16 25CB 97.25 26CD1 25C16 25CA 76.12 26CD1 25C16 26CG 15.44 26CD1 25C16 26NE1 15.45 26CD1 25C16 26CB 35.76 26CD1 25C16 66N 52.08 26CD1 25C16 24N 69.01 26CD1 25C16 23CA 92.69 26CD1 25C16 25C 63.96 26CD1 25C16 24C 55.05 26CD1 25C16 26CA 44.91 26CD1 25C16 24CA 52.83 26CD1 25C16 65C 56.87 26CD1 25C16 66O 54.10 26CD1 25C16 65N 69.48 26N 25C16 25N 44.67 26N 25C16 23C 93.12 26N 25C16 25CB 51.34 26N 25C16 25CA 35.79 26N 25C16 26CG 42.62 26N 25C16 26NE1 63.79 26N 25C16 26CB 34.80 26N 25C16 66N 93.89 26N 25C16 24N 77.38 26N 25C16 25C 16.11 26N 25C16 24C 44.64 26N 25C16 26CA 16.33 26N 25C16 24CA 61.13 26N 25C16 66O 70.60 25N 25C16 23C 56.44 25N 25C16 25CB 37.16 25N 25C16 25CA 19.86 25N 25C16 26CG 71.75 25N 25C16 26NE1 70.29 25N 25C16 26CB 75.60 25N 25C16 24N 39.16 25N 25C16 23CA 68.19 25N 25C16 25C 33.83 25N 25C16 24C 15.28 25N 25C16 26CA 60.18 25N 25C16 24CA 31.81 23C 25C16 65CA 74.98 23C 25C16 25CB 86.20 23C 25C16 25CA 75.86 23C 25C16 26CG 87.97 23C 25C16 26NE1 60.92 23C 25C16 66N 97.84 23C 25C16 24N 17.30 23C 25C16 23CA 19.93 23C 25C16 25C 88.48 23C 25C16 24C 49.42 23C 25C16 24CA 32.05 23C 25C16 65C 85.33 23C 25C16 65N 60.76 65CA 25C16 26CG 76.49 65CA 25C16 26NE1 57.92 65CA 25C16 26CB 90.45 65CA 25C16 66N 33.37 65CA 25C16 24N 89.01 65CA 25C16 23CA 76.80 65CA 25C16 24CA 90.04 65CA 25C16 65C 17.45 65CA 25C16 66O 68.34 65CA 25C16 65N 14.75 25CB 25C16 25CA 21.65 25CB 25C16 26CG 93.09 25CB 25C16 26CB 85.06 25CB 25C16 24N 70.81 25CB 25C16 23CA 89.00 25CB 25C16 25C 35.50 25CB 25C16 24C 52.00 25CB 25C16 26CA 65.90 25CB 25C16 24CA 68.59 25CA 25C16 26CG 73.95 25CA 25C16 26NE1 82.49 25CA 25C16 26CB 70.49 25CA 25C16 24N 58.71 25CA 25C16 23CA 85.38 25CA 25C16 25C 20.38 25CA 25C16 24C 32.49 25CA 25C16 26CA 52.03 25CA 25C16 24CA 51.06 26CG 25C16 26NE1 30.69 26CG 25C16 26CB 20.39 26CG 25C16 66N 52.82 26CG 25C16 24N 81.30 26CG 25C16 25C 57.74 26CG 25C16 24C 60.85 26CG 25C16 26CA 32.36 26CG 25C16 24CA 63.73 26CG 25C16 65C 62.21 26CG 25C16 66O 43.58 26CG 25C16 65N 80.99 26NE1 25C16 26CB 51.09 26NE1 25C16 66N 51.16 26NE1 25C16 24N 59.98 26NE1 25C16 23CA 79.09 26NE1 25C16 25C 74.44 26NE1 25C16 24C 55.27 26NE1 25C16 26CA 59.77 26NE1 25C16 24CA 46.88 26NE1 25C16 65C 50.71 26NE1 25C16 66O 63.77 26NE1 25C16 65N 56.44 26CB 25C16 66N 60.55 26CB 25C16 24N 96.31 26CB 25C16 25C 50.81 26CB 25C16 24C 69.20 26CB 25C16 26CA 19.18 26CB 25C16 24CA 77.92 26CB 25C16 65C 73.91 26CB 25C16 66O 36.73 26CB 25C16 65N 98.03 66N 25C16 26CA 79.58 66N 25C16 24CA 97.14 66N 25C16 65C 16.15 66N 25C16 66O 35.16 66N 25C16 65N 46.29 24N 25C16 23CA 32.77 24N 25C16 25C 71.39 24N 25C16 24C 32.88 24N 25C16 26CA 88.94 24N 25C16 24CA 18.41 24N 25C16 65C 96.24 24N 25C16 65N 75.67 23CA 25C16 24C 65.31 23CA 25C16 24CA 50.41 23CA 25C16 65C 91.28 23CA 25C16 65N 62.12 25C 25C16 24C 39.37 25C 25C16 26CA 31.92 25C 25C16 24CA 58.36 25C 25C16 66O 85.95 24C 25C16 26CA 57.54 24C 25C16 24CA 19.36 24C 25C16 65N 97.77 26CA 25C16 24CA 71.17 26CA 25C16 65C 92.26 26CA 25C16 66O 54.28 24CA 25C16 65C 91.93 24CA 25C16 65N 79.37 65C 25C16 66O 51.31 65C 25C16 65N 30.19 66O 25C16 65N 81.41 25SG 25C17 25CB 33.36 25SG 25C17 25N 69.53 25SG 25C17 25CA 47.13 25SG 25C17 26N 51.70 25SG 25C17 25C 42.10 25SG 25C17 161O 81.99 25SG 25C17 162ND1 45.09 25SG 25C17 24C 78.33 25SG 25C17 26CD1 91.04 25SG 25C17 19NE2 91.40 25SG 25C17 24CA 96.69 25SG 25C17 163N 23.29 25SG 25C17 162CA 48.75 25CB 25C17 25N 43.65 25CB 25C17 25CA 23.36 25CB 25C17 23C 97.56 25CB 25C17 26N 52.35 25CB 25C17 24N 79.60 25CB 25C17 25C 34.92 25CB 25C17 162ND1 47.80 25CB 25C17 24C 54.50 25CB 25C17 26CD1 89.27 25CB 25C17 19NE2 59.46 25CB 25C17 24CA 71.68 25CB 25C17 163N 55.20 25CB 25C17 162CA 73.99 25N 25C17 25CA 22.58 25N 25C17 23O 63.36 25N 25C17 23C 56.78 25N 25C17 26N 42.10 25N 25C17 23CA 72.74 25N 25C17 24N 39.75 25N 25C17 25C 33.56 25N 25C17 162ND1 89.46 25N 25C17 24C 11.07 25N 25C17 26CD1 57.00 25N 25C17 19NE2 52.78 25N 25C17 24CA 28.26 25N 25C17 163N 92.62 25CA 25C17 23O 85.24 25CA 25C17 23C 79.30 25CA 25C17 26N 36.07 25CA 25C17 23CA 93.96 25CA 25C17 24N 61.96 25CA 25C17 25C 19.74 25CA 25C17 162ND1 71.14 25CA 25C17 24C 32.47 25CA 25C17 26CD1 67.46 25CA 25C17 19NE2 60.34 25CA 25C17 24CA 50.61 25CA 25C17 163N 70.36 25CA 25C17 162CA 94.23 23O 25C17 23C 18.25 23O 25C17 26N 78.82 23O 25C17 23CA 34.40 23O 25C17 24N 31.56 23O 25C17 25C 86.35 23O 25C17 24C 52.82 23O 25C17 26CD1 45.95 23O 25C17 19NE2 76.58 23O 25C17 230OH2 65.85 23O 25C17 24CA 35.23 23C 25C17 26N 84.24 23C 25C17 23CA 21.57 23C 25C17 24N 17.96 23C 25C17 25C 86.44 23C 25C17 24C 48.18 23C 25C17 26CD1 59.52 23C 25C17 19NE2 58.61 23C 25C17 230OH2 60.40 23C 25C17 24CA 30.09 26N 25C17 24N 73.12 26N 25C17 25C 17.65 26N 25C17 162ND1 93.89 26N 25C17 24C 42.62 26N 25C17 26CD1 40.31 26N 25C17 19NE2 93.61 26N 25C17 24CA 56.29 26N 25C17 163N 67.72 26N 25C17 162CA 96.10 23CA 25C17 24N 33.68 23CA 25C17 24C 66.27 23CA 25C17 26CD1 79.75 23CA 25C17 19NE2 53.84 23CA 25C17 230OH2 40.17 23CA 25C17 24CA 49.58 24N 25C17 25C 71.51 24N 25C17 24C 32.59 24N 25C17 26CD1 59.47 24N 25C17 19NE2 47.60 24N 25C17 230OH2 73.74 24N 25C17 24CA 16.96 25C 25C17 162ND1 79.14 25C 25C17 24C 38.92 25C 25C17 26CD1 55.45 25C 25C17 19NE2 79.80 25C 25C17 24CA 56.38 25C 25C17 163N 62.85 25C 25C17 162CA 90.50 161O 25C17 162ND1 62.06 161O 25C17 230OH2 90.45 161O 25C17 163N 60.08 161O 25C17 162CA 33.46 162ND1 25C17 19NE2 71.55 162ND1 25C17 163N 44.58 162ND1 25C17 162CA 38.78 24C 25C17 26CD1 48.36 24C 25C17 19NE2 57.22 24C 25C17 24CA 18.38 26CD1 25C17 24CA 46.21 19NE2 25C17 230OH2 73.47 19NE2 25C17 24CA 57.12 230OH2 25C17 24CA 89.69 163N 25C17 162CA 28.44 25SG 25C18 161O 91.87 25SG 25C18 25CB 20.14 25SG 25C18 23CA 98.61 25SG 25C18 161C 85.38 25SG 25C18 23O 83.74 25SG 25C18 23C 83.16 25SG 25C18 162ND1 47.66 25SG 25C18 162CA 57.49 25SG 25C18 25N 40.60 161O 25C18 161C 8.04 161O 25C18 162ND1 67.18 161O 25C18 162CA 35.14 230OH2 25C18 23CA 43.13 230OH2 25C18 23O 66.88 230OH2 25C18 23C 61.23 25CB 25C18 23CA 84.02 25CB 25C18 161C 98.23 25CB 25C18 23O 77.59 25CB 25C18 23C 72.21 25CB 25C18 162ND1 43.49 25CB 25C18 162CA 68.17 25CB 25C18 25N 30.01 23CA 25C18 23O 30.55 23CA 25C18 23C 19.20 23CA 25C18 25N 58.06 161C 25C18 162ND1 65.74 161C 25C18 162CA 30.20 23O 25C18 23C 15.25 23O 25C18 25N 47.60 23C 25C18 25N 43.17 162ND1 25C18 162CA 39.32 162ND1 25C18 25N 72.26 162CA 25C18 25N 96.88 66O 25C19 67CE1 68.17 66O 25C19 67CD1 54.92 160O 25C19 161C 52.84 160O 25C19 161CA 35.03 160O 25C19 161O 63.95 160O 25C19 162N 57.36 67CE1 25C19 67CD1 17.17 161C 25C19 161CA 18.68 161C 25C19 161O 14.83 161C 25C19 162N 15.27 161CA 25C19 161O 29.02 161CA 25C19 162N 28.85 161O 25C19 162N 26.37 66O 25C20 67CD1 61.25 66O 25C20 163CB 94.46 66O 25C20 66C 9.87 66O 25C20 68SD 69.49 66O 25C20 67CE1 71.63 66O 25C20 26CB 36.33 67CD1 25C20 66C 52.72 67CD1 25C20 68SD 78.08 67CD1 25C20 67CE1 17.64 67CD1 25C20 26CB 92.78 163CB 25C20 68SD 53.55 163CB 25C20 163N 29.80 163CB 25C20 134CB 65.83 163CB 25C20 26CB 58.92 66C 25C20 68SD 74.07 66C 25C20 67CE1 62.03 66C 25C20 26CB 46.18 68SD 25C20 67CE1 95.08 68SD 25C20 163N 82.16 68SD 25C20 134CB 71.67 68SD 25C20 26CB 55.82 163N 25C20 134CB 62.79 163N 25C20 26CB 80.06 67CD1 25C21 209CD2 74.52 67CD1 25C21 67CE1 21.15 67CD1 25C21 66O 65.47 67CD1 25C21 68SD 94.26 67CD1 25C21 67CA 41.35 67CD1 25C21 67CG 10.50 67CD1 25C21 209CG 78.82 67CD1 25C21 66C 53.86 209CD2 25C21 67CE1 74.15 209CD2 25C21 68SD 93.95 209CD2 25C21 134CB 66.63 209CD2 25C21 67CA 99.15 209CD2 25C21 67CG 80.75 209CD2 25C21 209CG 13.43 209CD2 25C21 68CE 78.53 67CE1 25C21 66O 75.62 67CE1 25C21 67CA 60.36 67CE1 25C21 67CG 30.58 67CE1 25C21 209CG 82.83 67CE1 25C21 66C 64.25 66O 25C21 68SD 70.26 66O 25C21 67CA 36.25 66O 25C21 67CG 56.88 66O 25C21 68CE 92.80 66O 25C21 66C 11.70 68SD 25C21 134CB 81.96 68SD 25C21 67CA 59.58 68SD 25C21 67CG 85.39 68SD 25C21 209CG 80.91 68SD 25C21 68CE 22.58 68SD 25C21 66C 74.79 134CB 25C21 209CG 61.74 134CB 25C21 68CE 60.74 67CA 25C21 67CG 30.85 67CA 25C21 209CG 95.15 67CA 25C21 68CE 78.69 67CA 25C21 66C 29.16 67CG 25C21 209CG 82.94 67CG 25C21 68CE 99.01 67CG 25C21 66C 45.56 209CG 25C21 68CE 65.12 68CE 25C21 66C 97.17 163N 25C22 163CB 41.38 163N 25C22 162C 21.72 163N 25C22 163CA 22.86 163N 25C22 162O 35.18 163N 25C22 162CA 35.98 163N 25C22 162N 54.90 163N 25C22 134CB 83.08 163N 25C22 25SG 48.42 163N 25C22 161C 68.41 163N 25C22 68SD 98.47 163N 25C22 161O 68.27 163N 25C22 134CA 66.14 163CB 25C22 162C 60.85 163CB 25C22 163CA 23.53 163CB 25C22 162O 65.54 163CB 25C22 162CA 77.32 163CB 25C22 162N 96.04 163CB 25C22 134CB 83.53 163CB 25C22 25SG 60.46 163CB 25C22 66O 95.09 163CB 25C22 68SD 58.15 163CB 25C22 134CA 68.94 162C 25C22 163CA 38.46 162C 25C22 162O 18.52 162C 25C22 162CA 21.19 162C 25C22 162N 35.80 162C 25C22 134CB 73.18 162C 25C22 25SG 61.51 162C 25C22 161C 51.73 162C 25C22 161O 56.33 162C 25C22 134CA 58.55 163CA 25C22 162O 42.12 163CA 25C22 162CA 57.32 163CA 25C22 162N 74.25 163CA 25C22 134CB 72.12 163CA 25C22 25SG 61.97 163CA 25C22 161C 89.59 163CA 25C22 68SD 76.50 163CA 25C22 161O 90.96 163CA 25C22 134CA 55.19 162O 25C22 162CA 34.60 162O 25C22 162N 40.22 162O 25C22 134CB 54.86 162O 25C22 25SG 79.79 162O 25C22 161C 57.52 162O 25C22 161O 66.63 162O 25C22 134CA 41.20 162CA 25C22 162N 20.16 162CA 25C22 134CB 87.29 162CA 25C22 25SG 55.65 162CA 25C22 161C 32.48 162CA 25C22 161O 35.17 162CA 25C22 134CA 75.53 162N 25C22 134CB 81.91 162N 25C22 25SG 71.75 162N 25C22 161C 17.31 162N 25C22 161O 28.19 162N 25C22 134CA 75.24 134CB 25C22 161C 94.20 134CB 25C22 68SD 76.86 134CB 25C22 134CA 17.24 25SG 25C22 161C 71.58 25SG 25C22 66O 87.43 25SG 25C22 161O 59.61 161C 25C22 161O 14.91 161C 25C22 134CA 90.49 66O 25C22 68SD 61.09 68SD 25C22 134CA 77.47 161O 25N23 25SG 96.69 161O 25N23 162ND1 87.98 161O 25N23 161C 7.60 161O 25N23 162CA 42.67 161O 25N23 162CB 53.10 161O 25N23 162N 24.12 161O 25N23 162CG 72.20 161O 25N23 162CE1 99.02 25SG 25N23 162ND1 58.85 25SG 25N23 161C 90.78 25SG 25N23 162CA 65.10 25SG 25N23 162CB 74.63 25SG 25N23 25CB 22.39 25SG 25N23 162N 78.71 25SG 25N23 162CG 65.53 25SG 25N23 162CE1 56.82 162ND1 25N23 161C 80.81 162ND1 25N23 162CA 47.69 162ND1 25N23 162CB 35.43 162ND1 25N23 25CB 47.77 162ND1 25N23 162N 64.92 162ND1 25N23 162CG 16.11 162ND1 25N23 162CE1 11.08 161C 25N23 162CA 35.07 161C 25N23 162CB 46.35 161C 25N23 162N 16.53 161C 25N23 162CG 65.21 161C 25N23 162CE1 91.80 162CA 25N23 162CB 20.44 162CA 25N23 25CB 73.45 162CA 25N23 162N 18.55 162CA 25N23 162CG 33.95 162CA 25N23 162CE1 58.16 162CB 25N23 25CB 75.17 162CB 25N23 162N 31.96 162CB 25N23 162CG 19.34 162CB 25N23 162CE1 46.49 25CB 25N23 162N 90.62 25CB 25N23 162CG 59.94 25CB 25N23 162CE1 41.59 162N 25N23 162CG 49.81 162N 25N23 162CE1 75.77 162CG 25N23 162CE1 27.14 161O 25C24 162ND1 71.20 161O 25C24 25SG 68.87 161O 25C24 25CB 86.70 161O 25C24 162CE1 84.02 161O 25C24 161C 5.61 161O 25C24 162CG 60.27 230OH2 25C24 19NE2 82.86 230OH2 25C24 23CA 39.21 162ND1 25C24 25SG 49.38 162ND1 25C24 19NE2 75.30 162ND1 25C24 25CB 42.32 162ND1 25C24 162CE1 12.89 162ND1 25C24 161C 66.20 162ND1 25C24 162CG 13.50 25SG 25C24 19NE2 69.24 25SG 25C24 25CB 21.54 25SG 25C24 162CE1 51.86 25SG 25C24 161C 67.93 25SG 25C24 23CA 75.54 25SG 25C24 162CG 55.53 19NE2 25C24 25CB 50.50 19NE2 25C24 162CE1 63.30 19NE2 25C24 23CA 49.37 19NE2 25C24 162CG 88.70 25CB 25C24 162CE1 38.82 25CB 25C24 161C 84.51 25CB 25C24 23CA 72.33 25CB 25C24 162CG 53.33 162CE1 25C24 161C 79.07 162CE1 25C24 162CG 25.60 161C 25C24 162CG 54.95 230OH2 25O25 23CA 52.31 233OH2 25O25 22O 74.89 230OH2 25O25 23N 49.81 233OH2 25O25 23C 64.37 23CA 25O25 19NE2 59.20 23CA 25O25 25SG 80.98 23CA 25O25 22O 33.94 23CA 25O25 23N 14.51 23CA 25O25 23C 15.82 19NE2 25O25 25SG 68.80 19NE2 25O25 22O 32.41 19NE2 25O25 23N 57.42 19NE2 25O25 23C 55.28 25SG 25O25 22O 87.84 25SG 25O25 161O 56.79 25SG 25O25 23N 93.48 25SG 25O25 23C 65.16 22O 25O25 23N 26.63 22O 25O25 23C 39.45 23N 25O25 23C 29.23 162ND1 25C26 161O 70.33 162ND1 25C26 162CG 16.51 162ND1 25C26 184CZ2 61.61 162ND1 25C26 162CB 33.57 162ND1 25C26 162CE1 14.30 162ND1 25C26 184NE1 54.26 161O 25C26 162CG 62.73 161O 25C26 162CB 46.80 161O 25C26 162CE1 84.49 162CG 25C26 184CZ2 58.73 162CG 25C26 162CB 18.91 162CG 25C26 162CE1 27.71 162CG 25C26 184NE1 61.32 184CZ2 25C26 162CB 69.73 184CZ2 25C26 162CE1 53.77 184CZ2 25C26 184NE1 30.35 162CB 25C26 162CE1 46.35 162CB 25C26 184NE1 78.86 162CE1 25C26 184NE1 40.84 161O 25C27 161OD1 53.78 161O 25C27 161C 11.71 161O 25C27 162CB 46.13 161O 25C27 162ND1 62.87 161OD1 25C27 161C 42.77 161OD1 25C27 162CB 55.70 161OD1 25C27 162ND1 86.16 161C 25C27 162CB 40.57 161C 25C27 162ND1 63.10 162CB 25C27 162ND1 30.49 161OD1 25C28 137O 69.81 161OD1 25C28 161O 54.98 161OD1 25C28 137C 53.96 161OD1 25C28 137CB 55.92 161OD1 25C28 162CB 61.51 161OD1 25C28 161CG 11.62 161OD1 25C28 138N 47.36 161OD1 25C28 161C 42.86 137O 25C28 137C 15.86 137O 25C28 184CZ2 70.21 137O 25C28 137CB 37.24 137O 25C28 162CB 85.15 137O 25C28 161CG 80.00 137O 25C28 138N 27.64 137O 25C28 184CH2 55.56 161O 25C28 137CB 84.76 161O 25C28 162CB 45.37 161O 25C28 161CG 49.97 161O 25C28 161C 13.42 137C 25C28 184CZ2 81.49 137C 25C28 137CB 32.38 137C 25C28 162CB 78.21 137C 25C28 161CG 64.18 137C 25C28 138N 15.77 137C 25C28 184CH2 68.22 137C 25C28 161C 90.09 184CZ2 25C28 137CB 63.63 184CZ2 25C28 162CB 70.10 184CZ2 25C28 138N 96.79 184CZ2 25C28 184CH2 15.72 137CB 25C28 162CB 47.93 137CB 25C28 161CG 67.40 137CB 25C28 138N 45.63 137CB 25C28 184CH2 56.70 137CB 25C28 161C 73.01 162CB 25C28 161CG 66.72 162CB 25C28 138N 87.00 162CB 25C28 184CH2 76.56 162CB 25C28 161C 39.92 161CG 25C28 138N 55.54 161CG 25C28 161C 39.76 138N 25C28 184CH2 82.84 138N 25C28 161C 88.57 161OD1 25C29 161CG 17.77 161OD1 25C29 161CB 38.20 161OD1 25C29 137C 69.75 161OD1 25C29 138N 63.36 161OD1 25C29 161O 67.46 161OD1 25C29 137O 86.87 161OD1 25C29 138CA 77.48 161OD1 25C29 137CB 66.56 161OD1 25C29 161C 51.63 161OD1 25C29 137CA 57.43 161OD1 25C29 137N 38.54 161OD1 25C29 161ND2 20.78 161OD1 25C29 162CB 69.24 161OD1 25C29 138CB 70.48 161OD1 25C29 161CA 39.44 161OD1 25C29 162N 49.70 161CG 25C29 161CB 23.57 161CG 25C29 137C 84.96 161CG 25C29 138N 74.84 161CG 25C29 161O 62.41 161CG 25C29 138CA 84.52 161CG 25C29 137CB 84.24 161CG 25C29 161C 49.09 161CG 25C29 137CA 74.70 161CG 25C29 137N 55.87 161CG 25C29 161ND2 11.82 161CG 25C29 162CB 78.89 161CG 25C29 138CB 72.41 161CG 25C29 161CA 31.89 161CG 25C29 162N 53.19 161CB 25C29 138N 98.38 161CB 25C29 161C 43.85 161CB 25C29 137CB 99.44 161CB 25C29 161C 35.43 161CB 25C29 137CA 94.94 161CB 25C29 137N 76.23 161CB 25C29 161ND2 33.15 161CB 25C29 162CB 75.97 161CB 25C29 138CB 91.71 161CB 25C29 161CA 16.99 161CB 25C29 162N 46.28 137C 25C29 138N 19.59 137C 25C29 137O 17.39 137C 25C29 138CA 35.03 137C 25C29 137CB 35.61 137C 25C29 137CA 20.11 137C 25C29 137N 34.13 137C 25C29 161ND2 78.64 137C 25C29 162CB 84.64 137C 25C29 138CB 50.91 137C 25C29 162N 96.62 138N 25C29 137O 32.46 138N 25C29 138CA 20.27 138N 25C29 137CB 52.67 138N 25C29 137CA 33.41 138N 25C29 137N 37.77 138N 25C29 161ND2 65.96 138N 25C29 162CB 98.96 138N 25C29 138CB 32.14 161O 25C29 137CB 93.41 161O 25C29 161C 16.38 161O 25C29 137N 91.81 161O 25C29 161ND2 74.07 161C 25C29 162CB 47.11 161O 25C29 161CA 30.52 161O 25C29 162N 27.28 137O 25C29 138CA 39.55 137O 25C29 137CB 39.61 137O 25C29 137CA 32.50 137O 25C29 137N 49.84 137O 25C29 161ND2 95.83 137O 25C29 162CB 87.74 137O 25C29 138CB 58.44 138CA 25C29 137CB 70.56 138CA 25C29 137CA 52.71 138CA 25C29 137N 57.82 138CA 25C29 161ND2 73.59 138CA 25C29 138CB 19.26 137CB 25C29 161C 82.69 137CB 25C29 137CA 20.23 137CB 25C29 137N 32.22 137CB 25C29 161ND2 84.94 137CB 25C29 162CB 49.44 137CB 25C29 138CB 84.72 137CB 25C29 161CA 89.09 137CB 25C29 162N 67.71 161C 25C29 137CA 89.83 161C 25C29 137N 76.15 161C 25C29 161ND2 60.90 161C 25C29 162CB 43.16 161C 25C29 161CA 18.88 161C 25C29 162N 15.26 137CA 25C29 137N 18.89 137CA 25C29 161ND2 71.91 137CA 25C29 162CB 66.00 137CA 25C29 138CB 65.00 137CA 25C29 161CA 89.85 137CA 25C29 162N 76.62 137N 25C29 161ND2 53.90 137N 25C29 162CB 64.20 137N 25C29 138CB 63.74 137N 25C29 161CA 72.67 137N 25C29 162N 65.28 161ND2 25C29 162CB 88.34 161ND2 25029 138CB 60.67 161ND2 25C29 161CA 43.56 161ND2 25C29 162N 64.33 162CB 25C29 161CA 59.23 162CB 25C29 162N 29.75 161CA 25C29 162N 29.47 137O 25C30 143NE2 59.46 137O 25C30 184CZ2 69.76 137O 25C30 137C 14.57 137O 25C30 138CA 35.79 137O 25C30 184CH2 56.99 137O 25C30 138N 26.64 143NE2 25C30 184CZ2 83.66 143NE2 25C30 137C 71.37 143NE2 25C30 138CA 63.07 143NE2 25C30 184CH2 68.61 143NE2 25C30 138N 72.68 184CZ2 25C30 137C 78.03 184CZ2 25C30 184CH2 16.45 184CZ2 25C30 138N 93.46 137C 25C30 138CA 30.17 137C 25C30 184CH2 67.67 137C 25C30 138N 15.43 138CA 25C30 184CH2 92.20 138CA 25C30 138N 17.17 184CH2 25C30 138N 82.69 184CZ2 25N31 184NE1 33.41 184CZ2 25N31 184CE2 17.32 184CZ2 25N31 162ND1 57.89 184CZ2 25N31 19NE2 96.35 184NE1 25N31 184CE2 16.98 184NE1 25N31 162ND1 53.50 184NE1 25N31 19NE2 63.65 184CE2 25N31 162ND1 57.86 184CE2 25N31 19NE2 80.63 162ND1 25N31 19NE2 68.39 184NE1 25C32 184CE2 19.92 184NE1 25C32 184CZ2 38.87 184NE1 25C32 19NE2 81.55 184NE1 25C32 190E1 51.17 184NE1 25C32 19CD 64.02 184NE1 25C32 184CD1 13.69 184NE1 25C32 162ND1 58.56 184NE1 25C32 162CE1 44.43 184CE2 25C32 184CZ2 20.46 184CE2 25C32 19OE1 70.66 184CE2 25C32 19CD 83.94 184CE2 25C32 184CD1 29.80 184CE2 25C32 162ND1 62.83 184CE2 25C32 162CE1 52.80 184CZ2 25C32 190E1 86.31 184CZ2 25C32 184CD1 50.14 184CZ2 25C32 162ND1 60.09 184CZ2 25C32 162CE1 56.05 19NE2 25C32 190E1 31.34 19NE2 25C32 19CD 17.91 19NE2 25C32 184CD1 75.00 19NE2 25C32 162ND1 75.92 19NE2 25C32 162CE1 69.31 19OE1 25C32 19CD 16.54 19OE1 25C32 184CD1 47.47 19OE1 25C32 162ND1 56.39 19OE1 25C32 162CE1 44.21 19CD 25C32 184CD1 57.09 19CD 25C32 162ND1 70.79 19CD 25C32 162CE1 60.09 184CD1 25C32 162ND1 69.23 184CD1 25C32 162CE1 53.91 162ND1 25C32 162CE1 16.00 184NE1 25O33 19CE1 71.37 184NE1 25O33 19CD 86.43 184NE1 25O33 184CE2 20.79 184NE1 25O33 184CD1 17.17 184NE1 25O33 162CE1 60.07 184NE1 25O33 184CZ2 41.79 184NE1 25O33 162ND1 76.01 184NE1 25O33 19CG 80.45 184NE1 25O33 184CD2 16.63 184NE1 25O33 162NE2 50.59 184NE1 25O33 184CG 13.72 184NE1 25O33 162CG 72.21 184NE1 25O33 25CB 93.48 19OE1 25O33 19NE2 40.72 19OE1 25O33 19CD 21.44 19OE1 25O33 184CE2 91.61 19OE1 25O33 184CD1 61.45 19OE1 25O33 162CE1 59.41 19OE1 25O33 162ND1 74.45 19OE1 25O33 19CG 30.46 19OE1 25O33 184CD2 87.26 19OE1 25O33 162NE2 64.69 19OE1 25O33 184CG 72.71 19OE1 25O33 162CG 83.38 19OE1 25O33 25CB 44.37 19NE2 25O33 19CD 22.85 19NE2 25O33 184CD1 95.28 19NE2 25O33 162CE1 91.27 19NE2 25O33 162ND1 97.51 19NE2 25O33 19CG 32.33 19NE2 25O33 25CB 55.21 19CD 25O33 184CD1 73.73 19CD 25O33 162CE1 79.91 19CD 25O33 162ND1 92.65 19CD 25O33 19CG 15.53 19CD 25O33 162NE2 85.98 19CD 25O33 184CG 83.64 19CD 25O33 25CB 55.10 184CE2 25O33 184CD1 35.82 184CE2 25O33 162CE1 66.09 184CE2 25O33 184CZ2 21.88 184CE2 25O33 162ND1 76.32 184CE2 25O33 184CD2 10.76 184CE2 25O33 162NE2 54.99 184CE2 25O33 184CG 26.75 184CE2 25O33 162CG 68.94 184CD1 25O33 162CE1 68.79 184CD1 25O33 184CZ2 57.65 184CD1 25O33 162ND1 87.29 184CD1 25O33 19CG 64.62 184CD1 25O33 184CD2 27.61 184CD1 25O33 162NE2 61.38 184CD1 25O33 184CG 11.29 184CD1 25O33 162CG 85.74 184CD1 25O33 25CB 93.60 162CE1 25O33 184CZ2 67.50 162CE1 25O33 162ND1 20.07 162CE1 25O33 19CG 89.40 162CE1 25O33 184CD2 72.00 162CE1 25O33 162NE2 11.22 162CE1 25O33 184CG 72.92 162CE1 25O33 162CG 25.06 162CE1 25O33 25CB 41.49 184CZ2 25O33 162ND1 70.13 184CZ2 25O33 184CD2 31.61 184CZ2 25O33 162NE2 56.74 184CZ2 25O33 184CG 48.49 184CZ2 25O33 162CG 60.18 162ND1 25O33 184CD2 84.61 162ND1 25O33 162NE2 25.95 162ND1 25O33 184CG 89.59 162ND1 25O33 162CG 11.10 162ND1 25O33 25CB 42.38 19CG 25O33 184CD2 91.76 19CG 25C33 162NE2 93.17 19CG 25O33 184CG 74.56 19CG 25O33 25CB 70.08 184CD2 25O33 162NE2 61.34 184CD2 25O33 184CG 17.21 184CD2 25O33 162CG 78.20 162NE2 25O33 184CG 63.94 162NE2 25O33 162CG 26.05 162NE2 25O33 25CB 52.56 184CG 25O33 162CG 85.93 162CG 25O33 25CB 53.49 184NE1 25O34 184CE2 18.11 184NE1 25O34 184CZ2 33.70 184NE1 25O34 19NE2 70.03 184NE1 25O34 184CD1 15.57 184NE1 25O34 19CD 56.05 184NE1 25O34 19OE1 43.11 184CE2 25O34 184CZ2 18.11 184CE2 25634 19NE2 87.63 184CE2 25O34 184CD1 28.12 184CE2 25O34 19CD 74.10 184CE2 25O34 19OE1 60.83 184CZ2 25O34 19NE2 97.82 184CZ2 25O34 184CD1 46.02 184CZ2 25O34 19CD 86.79 184CZ2 25O34 19OE1 72.54 19NE2 25O34 184CD1 68.22 19NE2 25O34 19CD 16.05 19NE2 25O34 19OE1 26.92 184CD1 25O34 19CD 52.52 184CD1 25C34 19OE1 42.67 19CD 25O34 19OE1 14.42 20O 25C35 19NE2 68.42 20O 25C35 19CD 70.46 20O 25C35 19CG 55.17 20O 25C35 19OE1 84.98 20O 25C35 21NE2 59.84 20O 25C35 21OE1 59.50 19NE2 25C35 184NE1 74.82 19NE2 25C35 19CD 18.63 19NE2 25C35 19CG 33.10 19NE2 25C35 184CD1 76.03 19NE2 25C35 19OE1 29.73 19NE2 25C35 184CE2 89.27 184NE1 25C35 19CD 61.33 184NE1 25C35 19CG 69.26 184NE1 25C35 184CD1 18.20 184NE1 25C35 19OE1 46.19 184NE1 25C35 184CE2 15.64 19CD 25C35 19CG 20.18 19CD 25C35 184CD1 59.00 19CD 25C35 19OE1 15.55 19CD 25C35 184CE2 76.79 19CG 25C35 184CD1 60.31 19CG 25C35 19OE1 31.00 19CG 25C35 184CE2 84.62 184CD1 25C35 19OE1 46.45 184CD1 25C35 184CE2 27.90 190E1 25C35 184CE2 61.48 21NE2 25C35 210E1 26.73 21NE2 25C36 20O 62.73 21NE2 25C36 21CD 14.08 20O 25C36 19CG 49.13 20O 25C36 21CD 53.84 184CD1 25C36 184NE1 18.40 184CD1 25C36 184CG 16.42 184CD1 25C36 184CE2 27.92 184CD1 25C36 19CG 56.22 184NE1 25C36 184CG 28.30 184NE1 25C36 184CE2 16.44 184NE1 25C36 19CG 61.95 184CG 25C36 184CE2 27.91 184CG 25C36 19CG 70.47 184CE2 25C36 19CG 78.31 21NE2 25C37 20O 79.74 21NE2 25C37 21CD 16.72 21NE2 25C37 210E1 29.73 21NE2 25C37 20C 72.88 20O 25C37 21CD 66.28 20O 25C37 210E1 66.79 20O 25C37 20C 14.00 21CD 25C37 210E1 16.17 21CD 25C37 20C 62.16 210E1 25C37 20C 66.88 21NE2 25C38 21CD 9.90 21NE2 25C38 20O 63.92 21CD 25C38 20O 54.43 184CG 25C40 184CB 20.90 184CG 25C40 184CD2 19.97 184CG 25C40 184CD1 18.76 184CG 25C40 184CE2 29.83 184CG 25C40 184NE1 29.07 184CG 25C40 184CE3 34.09 184CG 25C40 1840 55.54 184CG 25C40 184CA 32.20 184CB 25C40 184CD2 36.24 184CB 25C40 184CD1 35.47 184CB 25C40 184CE2 50.10 184CB 25C40 184NE1 49.38 184CB 25C40 184CE3 43.19 184CB 25C40 1840 34.81 184CB 25C40 184CA 17.73 184CD2 25C40 184CD1 30.80 184CD2 25C40 184CE2 17.77 184CD2 25C40 184NE1 29.02 184CD2 25C40 184CE3 17.34 184CD2 25C40 1840 69.94 184CD2 25C40 184CA 51.16 184CD1 25C40 184CE2 28.86 184CD1 25C40 184NE1 17.14 184CD1 25C40 184CE3 47.95 184CD1 25C40 1840 66.59 184CE2 25C40 184CE3 30.61 184CE2 25C40 1840 84.89 184CE2 25C40 184CA 61.54 184NE1 25C40 184CE3 45.35 184NE1 25C40 1840 82.69 184NE1 25C40 184CA 55.30 184CE3 25C40 1840 71.49 184CE3 25C40 184CA 60.55 1840 25C40 184CA 28.85 184CD1 25C41 184CG 21.77 184CD1 25C41 184NE1 21.97 184CD1 25C41 184CD2 35.07 184CD1 25C41 184CE2 34.98 184CD1 25C41 184CB 36.36 184CD1 25C41 184CE3 51.22 184CD1 25C41 184CZ2 50.86 184CD1 25C41 184CA 37.30 184CG 25C41 184NE1 35.87 184CG 25C41 184CD2 21.86 184CG 25C41 184CE2 35.60 184CG 25C41 184CB 19.28 184CG 25C41 184CE3 34.71 184CG 25C41 184CZ2 50.97 184CG 25C41 184CA 30.15 184NE1 25C41 184CD2 34.95 184NE1 25C41 184CE2 20.95 184NE1 25C41 184CB 54.49 184NE1 25C41 184CE3 50.02 184NE1 25C41 184CZ2 33.28 184NE1 25C41 184CA 58.90 184CD2 25C41 184CE2 21.45 184CD2 25C41 184CB 36.52 184CD2 25C41 184CE3 16.39 184CD2 25C41 184CZ2 32.78 184CD2 25C41 184CA 51.13 184CE2 25C41 184CB 54.20 184CE2 25C41 184CE3 32.31 184CE2 25C41 184CZ2 16.30 184CE2 25C41 184CA 65.12 184CB 25C41 184CE3 43.07 184CB 25C41 184CZ2 68.63 184CB 25C41 184CA 17.27 184CE3 25C41 184CZ2 36.53 184CE3 25C41 184CA 59.94 184CZ2 25C41 184CA 80.95 25SG 25042 25CB 38.64 25SG 25042 25N 73.56 25SG 25042 25CA 53.59 25SG 25042 24C 84.78 25SG 25042 19OE1 88.63 25SG 25042 25C 44.83 25SG 25042 26N 45.60 25SG 25042 162ND1 49.49 25SG 25042 162CE1 54.51 25SG 25042 26CD1 74.03 25CB 25042 25N 49.39 25CB 25042 19NE2 81.36 25CB 25042 24N 99.21 25CB 25042 25CA 25.75 25CB 25042 24C 62.76 25CB 25042 24CA 84.14 25CB 25042 19CD 66.86 25CB 25042 19OE1 53.70 25CB 25042 25C 31.71 25CB 25042 26N 46.47 25CB 25042 162ND1 47.29 25CB 25042 162CE1 39.19 25CB 25042 26CD1 82.79 25N 25042 23C 70.38 25N 25042 23CA 94.53 25N 25042 19NE2 73.90 25N 25042 24N 51.16 25N 25042 25CA 23.79 25N 25042 23O 72.18

TABLE XVIII Table of angles between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor 4-[N- [(phenylmethoxy)carbonyl]-L-leucyl]-1-N[N-(methyl)-L-leucyl)]-3- pyrrolidinone. Atom 1 Atom 2 Atom 3 Angle Atom 1 Atom 2 Atom 3 Angle 242OH2 25C1 18OD1 67.89 242OH2 25C1 18CG 56.00 242OH2 25C1 18ND2 40.01 242OH2 25C1 184O 81.97 242OH2 25C1 184C 88.17 242OH2 25C1 21NE2 62.78 242OH2 25C1 20N 79.06 18OD1 25C1 184CD1 79.40 18OD1 25C1 184CB 74.81 18OD1 25C1 184CG 85.32 18OD1 25C1 184CA 53.47 18OD1 25C1 18CG 11.94 18OD1 25C1 18ND2 28.26 18OD1 25C1 184NE1 92.34 18OD1 25C1 184O 58.92 18OD1 25C1 184C 49.03 18OD1 25C1 21NE2 93.14 18OD1 25C1 20N 41.90 184CD1 25C1 184CB 38.10 184CD1 25C1 184CG 19.94 184CD1 25C1 184CA 42.92 184CD1 25C1 18CG 90.87 184CD1 25C1 184NE1 15.56 184CD1 25C1 184O 71.50 184CD1 25C1 184CD2 27.97 184CD1 25C1 184C 61.10 184CD1 25C1 20N 84.09 184CB 25C1 184CG 21.98 184CB 25C1 184CA 21.35 184CB 25C1 18CG 81.80 184CB 25C1 18ND2 96.15 184CB 25C1 184NE1 50.19 184CB 25C1 184O 36.35 184CB 25C1 184CD2 33.73 184CB 25C1 184C 32.01 184CG 25C1 184CA 36.19 184CG 25C1 18CG 95.04 184CG 25C1 184NE1 28.76 184CG 25C1 184O 58.26 184CG 25C1 184CD2 15.95 184CG 25C1 184C 51.91 184CA 25C1 18CG 60.97 184CA 25C1 18ND2 76.21 184CA 25C1 184NE1 58.19 184CA 25C1 184O 30.82 184CA 25C1 184CD2 51.40 184CA 25C1 184C 18.27 184CA 25C1 20N 84.75 18CG 25C1 18ND2 16.83 18CG 25C1 184O 59.45 18CG 25C1 184C 52.65 18CG 25C1 21NE2 87.86 18CG 25C1 20N 45.88 18ND2 25C1 184O 68.25 18ND2 25C1 184C 65.08 18ND2 25C1 21NE2 75.52 18ND2 25C1 20N 49.20 184NE1 25C1 184O 85.54 184NE1 25C1 184CD2 27.58 184NE1 25C1 184C 76.21 184NE1 25C1 20N 87.93 184O 25C1 184CD2 69.09 184O 25C1 184C 14.96 184CD2 25C1 184C 65.57 184C 25C1 20N 87.94 21NE2 25C1 20N 61.73 184CD1 25C2 184CG 20.80 184CD1 25C2 184NE1 19.39 184CD1 25C2 184CD2 32.31 184CD1 25C2 184CB 37.15 184CD1 25C2 184CE2 30.89 184CD1 25C2 18OD1 66.60 184CD1 25C2 184CA 37.97 184CD1 25C2 184CE3 47.14 184CG 25C2 184NE1 32.65 184CG 25C2 184CD2 20.10 184CG 25C2 184CB 20.97 184CG 25C2 184CE2 31.76 184CG 25C2 18OD1 71.61 184CG 25C2 184CA 31.32 184CG 25C2 184CE3 31.69 184NE1 25C2 184CD2 31.41 184NE1 25C2 184CB 52.95 184NE1 25C2 184CE2 18.36 184NE1 25C2 18OD1 83.70 184NE1 25C2 184CA 57.03 184NE1 25C2 184CE3 45.36 184CD2 25C2 184CB 36.72 184CD2 25C2 184CE2 18.93 184CD2 25C2 18OD1 91.69 184CD2 25C2 184CA 50.71 184CD2 25C2 184CE3 15.04 184CB 25C2 184CE2 52.15 184CB 25C2 242OH2 91.69 184CB 25C2 18OD1 60.47 184CB 25C2 184CA 17.64 184CB 25C2 184CE3 41.82 184CE2 25C2 18OD1 97.37 184CE2 25C2 184CA 62.35 184CE2 25C2 184CE3 29.53 242OH2 25C2 18OD1 48.28 242OH2 25C2 184CA 79.74 18OD1 25C2 184CA 43.08 184CA 25C2 184CE3 58.53 184NE1 25C3 184CD1 20.69 184NE1 25C3 184CE2 18.79 184NE1 25C3 184CG 31.66 184NE1 25C3 184CD2 29.94 184NE1 25C3 184CZ2 30.27 184CD1 25C3 184CE2 31.79 184CD1 25C3 184CG 18.43 184CD1 25C3 184CD2 29.94 184CD1 25C3 20O 97.66 184CD1 25C3 184CZ2 46.78 184CE2 25C3 184CG 31.39 184CE2 25C3 184CD2 18.34 184CE2 25C3 184CZ2 15.37 184CG 25C3 184CD2 18.68 184CG 25C3 184CZ2 46.08 184CD2 25C3 184CZ2 30.03 20O 25C3 21NE2 47.07 20O 25C4 19CG 63.08 20O 25C4 20C 13.93 20O 25C4 21NE2 58.24 20O 25C4 20N 38.94 20O 25C4 19CD 73.49 20O 25C4 20CA 29.58 20O 25C4 21OE1 64.57 20O 25C4 18OD1 80.18 20O 25C4 21CD 55.60 20O 25C4 19NE2 66.42 20O 25C4 21N 18.83 19CG 25C4 20C 69.89 19CG 25C4 184CD1 59.97 19CG 25C4 184NE1 63.38 19CG 25C4 20N 48.04 19CG 25C4 19CD 19.27 19CG 25C4 20CA 64.22 19CG 25C4 184CG 73.51 19CG 25C4 18OD1 63.24 19CG 25C4 184CE2 77.80 19CG 25C4 19NE2 28.95 19CG 25C4 21N 80.44 20C 25C4 21NE2 47.51 20C 25C4 20N 34.03 20C 25C4 19CD 83.36 20C 25C4 20CA 19.08 20C 25C4 21OE1 60.05 20C 25C4 18OD1 71.76 20C 25C4 21CD 48.39 20C 25C4 19NE2 78.43 20C 25C4 21N 11.83 184CD1 25C4 184NE1 19.36 184CD1 25C4 20N 90.20 184CD1 25C4 19CD 56.87 184CD1 25C4 184CG 14.62 184CD1 25C4 18OD1 63.59 184CD1 25C4 184CE2 26.99 184CD1 25C4 19NE2 70.60 184NE1 25C4 19CD 53.18 184NE1 25C4 184CG 27.61 184NE1 25C4 18OD1 82.57 184NE1 25C4 184CE2 14.41 184NE1 25C4 19NE2 63.56 21NE2 25C4 20N 70.04 21NE2 25C4 20CA 52.20 21NE2 25C4 21OE1 28.00 21NE2 25C4 18OD1 83.21 21NE2 25C4 21CD 15.16 21NE2 25C4 21N 39.44 20N 25C4 19CD 66.67 20N 25C4 20CA 18.60 20N 25C4 21OE1 91.11 20N 25C4 184CG 96.83 20N 25C4 18OD1 41.94 20N 25C4 21CD 77.35 20N 25C4 19NE2 70.35 20N 25C4 21N 45.53 19CD 25C4 20CA 81.50 19CD 25C4 184CG 71.48 19CD 25C4 18OD1 79.99 19CD 25C4 184CE2 66.85 19CD 25C4 19NE2 15.24 19CD 25C4 21N 92.20 20CA 25C4 21OE1 72.56 20CA 25C4 18OD1 52.69 20CA 25C4 21CD 58.76 20CA 25C4 19NE2 81.60 20CA 25C4 21N 28.99 21OE1 25C4 21CD 14.61 21OE1 25C4 21N 48.49 184CG 25C4 18OD1 62.90 184CG 25C4 184CE2 27.32 184CG 25C4 19NE2 85.13 18OD1 25C4 184CE2 89.23 18OD1 25C4 21CD 97.26 18OD1 25C4 19NE2 92.18 18OD1 25C4 21N 80.98 184CE2 25C4 19NE2 75.84 21CD 25C4 21N 37.64 19NE2 25C4 21N 85.10 20O 25C5 20N 55.48 20O 25C5 20C 21.07 20O 25C5 20CA 44.11 20O 25C5 19CG 71.84 20O 25C5 21NE2 66.85 20O 25C5 19C 51.82 20O 25C5 21N 24.93 20O 25C5 19CD 75.35 20O 25C5 19N 84.18 20O 25C5 19CA 67.21 20O 25C5 19CB 67.59 20O 25C5 21CD 58.45 20O 25C5 19C 39.96 20O 25C5 21OE1 62.69 20N 25C5 20C 45.30 20N 25C5 20CA 25.13 20N 25C5 18OD1 58.18 20N 25C5 19CG 59.77 20N 25C5 21NE2 88.80 20N 25C5 19C 15.04 20N 25C5 21N 55.27 20N 25C5 242OH2 88.85 20N 25C5 18CG 53.24 20N 25C5 19CD 75.42 20N 25C5 19N 36.29 20N 25C5 19CA 29.03 20N 25C5 19CB 45.65 20N 25C5 21CD 91.99 20N 25C5 18ND2 55.37 20N 25C5 19O 20.80 20N 25C5 183O 72.28 20C 25C5 20CA 26.08 20C 25C5 18OD1 98.89 20C 25C5 19CG 82.87 20C 25C5 21NE2 55.09 20C 25C5 19C 48.39 20C 25C5 21N 11.08 20C 25C5 242OH2 97.88 20C 25C5 18CG 90.40 20C 25C5 19CD 90.83 20C 25C5 19N 80.24 20C 25C5 19CA 66.78 20C 25C5 19CB 74.20 20C 25C5 21CD 51.59 20C 25C5 18ND2 83.45 20C 25C5 19O 38.43 20C 25C5 21OE1 61.08 20CA 25C5 18OD1 72.87 20CA 25C5 19CG 80.41 20CA 25C5 21NE2 63.95 20CA 25C5 19C 35.76 20CA 25C5 21N 33.35 20CA 25C5 242OH2 81.51 20CA 25C5 18CG 64.36 20CA 25C5 19CD 93.94 20CA 25C5 19N 61.13 20CA 25C5 19CA 53.26 20CA 25C5 19CB 67.53 20CA 25C5 21CD 66.97 20CA 25C5 18ND2 58.72 20CA 25C5 19O 32.23 20CA 25C5 183O 97.26 20CA 25C5 21OE1 79.78 18OD1 25C5 19CG 80.27 18OD1 25C5 19C 65.37 18OD1 25C5 184CD1 74.17 18OD1 25C5 242OH2 54.74 18OD1 25C5 18CG 10.85 18OD1 25C5 19CD 93.30 18OD1 25C5 184NE1 90.85 18OD1 25C5 19N 40.79 18OD1 25C5 19CA 57.69 18OD1 25C5 19CB 70.95 18OD1 25C5 18ND2 26.15 18OD1 25C5 19O 76.52 18OD1 25C5 184CG 70.18 18OD1 25C5 183O 49.64 19CG 25C5 19C 45.54 19CG 25C5 184CD1 61.26 19CG 25C5 21N 92.85 19CG 25C5 18CG 85.81 19CG 25C5 19CD 16.55 19CG 25C5 184NE1 60.42 19CG 25C5 19N 42.09 19CG 25C5 19CA 32.92 19CG 25C5 19CB 14.39 19CG 25C5 18ND2 99.14 19CG 25C5 19O 48.69 19CG 25C5 184CG 74.77 19CG 25C5 183O 42.29 21NE2 25C5 19C 99.03 21NE2 25C5 21N 44.87 21NE2 25C5 242OH2 63.97 21NE2 25C5 18CG 97.62 21NE2 25C5 21CD 14.03 21NE2 25C5 18ND2 81.87 21NE2 25C5 19O 91.86 21NE2 25C5 21OE1 25.97 19C 25C5 184CD1 99.04 19C 25C5 21N 59.38 19C 25C5 18CG 62.98 19C 25C5 19CD 60.71 19C 25C5 19N 32.80 19C 25C5 19CA 18.65 19C 25C5 19CB 31.95 19C 25C5 21CD 99.25 19C 25C5 18ND2 68.17 19C 25C5 19O 11.87 19C 25C5 183O 65.75 184CD1 25C5 18CG 85.01 184CD1 25C5 19CD 55.30 184CD1 25C5 184NE1 16.94 184CD1 25C5 19N 71.72 184CD1 25C5 19CA 80.51 184CD1 25C5 19CB 70.19 184CD1 25C5 18ND2 99.06 184CD1 25C5 184CG 14.35 184CD1 25C5 183O 35.61 21N 25C5 242OH2 94.26 21N 25C5 18CG 95.93 21N 25C5 19CD 99.24 21N 25C5 19N 90.87 21N 25C5 19CA 77.83 21N 25C5 19CB 84.96 21N 25C5 21CD 40.54 21N 25C5 18ND2 86.56 21N 25C5 19O 49.51 21N 25C5 21OE1 50.14 242OH2 25C5 18CG 48.98 242OH2 25C5 19N 93.10 242OH2 25C5 21CD 77.70 242OH2 25C5 18ND2 37.02 242OH2 25C5 184CG 92.59 242OH2 25C5 21OE1 85.45 18CG 25C5 19N 44.21 18CG 25C5 19CA 59.10 18CG 25C5 19CB 74.72 18CG 25C5 18ND2 15.95 18CG 25C5 19O 73.12 18CG 25C5 184CG 80.57 18CG 25C5 183O 59.45 19CD 25C5 184NE1 49.55 19CD 25C5 19N 57.74 19CD 25C5 19CA 49.44 19CD 25C5 19CB 30.83 19CD 25C5 19O 61.72 19CD 25C5 184CG 69.64 19CD 25C5 183O 48.36 184NE1 25C5 19N 82.36 184NE1 25C5 19CA 86.84 184NE1 25C5 19CB 72.47 184NE1 25C5 184CG 26.82 184NE1 25C5 183O 47.92 19N 25C5 19CA 18.06 19N 25C5 19CB 30.56 19N 25C5 18ND2 57.06 19N 25C5 19O 44.42 19N 25C5 184CG 78.07 19N 25C5 183O 36.14 19CA 25C5 19CB 18.64 19CA 25C5 18ND2 69.26 19CA 25C5 19O 28.69 19CA 25C5 184CG 89.98 19CA 25C5 183O 47.24 19CB 25C5 18ND2 86.66 19CB 25C5 19O 37.11 19CB 25C5 184CG 82.34 19CB 25C5 183O 43.36 21CD 25C5 18ND2 94.92 21CD 25C5 19O 90.00 21CD 25C5 21CE1 14.31 18ND2 25C5 19O 76.17 18ND2 25C5 184CG 92.52 18ND2 25C5 183O 75.40 19O 25C5 183O 75.72 19O 25C5 21OE1 98.98 184CG 25C5 183O 42.87 18OD1 25C6 242OH2 77.61 18OD1 25C6 20N 62.12 18OD1 25C6 18CG 14.65 18OD1 25C6 18ND2 34.76 18OD1 25C6 20CA 76.78 18OD1 25C6 184CD1 84.66 18OD1 25C6 20C 97.24 18OD1 25C6 19CG 77.43 18OD1 25C6 184CA 51.93 18OD1 25C6 184CG 83.75 18OD1 25C6 184CB 70.76 18OD1 25C6 19N 38.61 18OD1 25C6 19C 62.85 18OD1 25C6 183O 51.93 18OD1 25C6 244OH2 87.25 18OD1 25C6 184NE1 97.99 242OH2 25C6 18CG 65.17 242OH2 25C6 18ND2 48.30 242OH2 25C6 20CA 92.93 242OH2 25C6 21NE2 71.65 242OH2 25C6 184CA 99.99 242OH2 25C6 244OH2 54.20 20N 25C6 18CG 61.40 20N 25C6 18ND2 64.85 20N 25C6 20CA 22.20 20N 25C6 20O 43.67 20N 25C6 20C 36.81 20N 25C6 21NE2 80.01 20N 25C6 19CG 49.35 20N 25C6 19N 37.08 20N 25C6 19C 10.50 20N 25C6 183O 71.86 20N 25C6 244OH2 62.38 18CG 25C6 18ND2 20.14 18CG 25C6 20CA 71.10 18CG 25C6 184CD1 99.10 18CG 25C6 20C 92.50 18CG 25C6 19CG 87.70 18CG 25C6 184CA 64.20 18CG 25C6 184CG 96.81 18CG 25C6 184CB 82.01 18CG 25C6 19N 47.68 18CG 25C6 19C 65.05 18CG 25C6 183O 66.43 18CG 25C6 244OH2 73.82 18ND2 25C6 20CA 66.38 18ND2 25C6 20C 86.96 18ND2 25C6 21NE2 91.35 18ND2 25C6 184CA 81.21 18ND2 25C6 184CB 96.97 18ND2 25C6 19N 63.62 18ND2 25C6 19C 71.84 18ND2 25C6 183O 86.52 18ND2 25C6 244OH2 56.34 20CA 25C6 20O 36.02 20CA 25C6 20C 21.45 20CA 25C6 21NE2 58.02 20CA 25C6 19CG 66.36 20CA 25C6 19N 58.93 20CA 25C6 19C 31.05 20CA 25C6 183O 94.02 20CA 25C6 244OH2 42.94 20O 25C6 20C 17.19 20O 25C6 21NE2 55.96 20O 25C6 19CG 53.96 20O 25C6 19N 73.45 20O 25C6 19C 43.47 20O 25C6 183O 95.13 20O 25C6 244OH2 65.82 20O 25C6 184NE1 94.22 184CD1 25C6 19CG 55.80 184CD1 25C6 184CA 40.42 184CD1 25C6 184CG 17.20 184CD1 25C6 184CB 33.57 184CD1 25C6 19N 72.31 184CD1 25C6 19C 91.74 184CD1 25C6 183O 36.78 184CD1 25C6 184NE1 14.58 20C 25C6 21NE2 47.89 20C 25C6 19CG 64.56 20C 25C6 19N 72.48 20C 25C6 19C 41.10 20C 25C6 244OH2 49.53 21NE2 25C6 19C 87.32 21NE2 25C6 244OH2 35.45 19CG 25C6 184CA 76.21 19CG 25C6 184CG 72.47 19CG 25C6 184CB 83.57 19CG 25C6 19N 40.03 19CG 25C6 19C 38.92 19CG 25C6 183O 42.08 19CG 25C6 184NE1 53.94 184CA 25C6 184CG 32.82 184CA 25C6 184CB 19.38 184CA 25C6 19N 63.55 184CA 25C6 19C 94.44 184CA 25C6 183O 34.70 184CA 25C6 184NE1 54.88 184CG 25C6 184CB 18.90 184CG 25C6 19N 82.27 184CG 25C6 183O 45.36 184CG 25C6 184NE1 27.16 184CB 25C6 19N 80.80 184CB 25C6 183O 46.93 184CB 25C6 184NE1 45.74 19N 25C6 19C 31.43 19N 25C6 183O 36.92 19N 25C6 244OH2 93.07 19N 25C6 184NE1 79.67 19C 25C6 183O 63.42 19C 25C6 244OH2 72.61 19C 25C6 184NE1 92.57 183O 25C6 184NE1 47.52 20O 25C7 19CG 66.72 20O 25C7 20C 8.16 20O 25C7 19CD 83.83 20O 25C7 19NE2 82.44 20O 25C7 22O 56.54 20O 25C7 22N 36.30 20O 25C7 21CA 31.83 20O 25C7 19OE1 95.92 20O 25C7 21OE1 66.65 20O 25C7 21N 17.17 20O 25C7 20N 30.97 20O 25C7 21NE2 51.64 20O 25C7 20CA 19.21 19CG 25C7 20C 71.45 19CG 25C7 19CD 21.67 19CG 25C7 19NE2 34.92 19CG 25C7 22O 55.96 19CG 25C7 184NE1 60.44 19CG 25C7 22N 79.46 19CG 25C7 21CA 96.64 19CG 25C7 19OE1 30.14 19CG 25C7 21N 83.86 19CG 25C7 184CD1 53.93 19CG 25C7 20N 45.16 19CG 25C7 20CA 61.57 20C 25C7 19CD 89.91 20C 25C7 19NE2 89.95 20C 25C7 22O 64.63 20C 25C7 22N 42.08 20C 25C7 21CA 30.95 20C 25C7 21OE1 60.76 20C 25C7 21N 13.74 20C 25C7 20N 31.22 20C 25C7 21NE2 43.84 20C 25C7 20CA 15.80 19CD 25C7 19NE2 18.60 19CD 25C7 22O 53.43 19CD 25C7 184NE1 53.45 19CD 25C7 22N 85.40 19CD 25C7 19OE1 13.55 19CD 25C7 184CD1 54.25 19CD 25C7 20N 66.44 19CD 25C7 20CA 82.18 19NE2 25C7 22O 38.61 19NE2 25C7 184NE1 67.89 19NE2 25C7 22N 73.27 19NE2 25C7 19OE1 28.20 19NE2 25C7 21N 97.49 19NE2 25C7 184CD1 71.68 19NE2 25C7 20N 74.18 19NE2 25C7 20CA 86.96 22O 25C7 22N 35.17 22O 25C7 21CA 64.61 22O 25C7 19OE1 65.85 22O 25C7 21N 66.20 22O 25C7 20N 67.78 22O 25C7 20CA 70.65 184NE1 25C7 19OE1 40.45 184NE1 25C7 184CD1 16.51 184NE1 25C7 20N 91.81 22N 25C7 21CA 29.87 22N 25C7 19OE1 98.77 22N 25C7 21OE1 70.75 22N 25C7 21N 36.58 22N 25C7 20N 63.54 22N 25C7 21NE2 72.49 22N 25C7 20CA 5$.44 21CA 25C7 21OE1 42.69 21CA 25C7 21N 17.64 21CA 25C7 20N 61.95 21CA 25C7 21NE2 43.40 21CA 25C7 20CA 46.53 19OE1 25C7 184CD1 43.68 19CE1 25C7 20N 74.85 19OE1 25C7 20CA 91.61 21OE1 25C7 21N 49.78 21OE1 25C7 20N 86.97 21OE1 25C7 21NE2 27.10 21OE1 25C7 20CA 70.13 21N 25C7 20N 44.95 21N 25C7 21NE2 38.79 21N 25C7 20CA 28.96 184CD1 25C7 20N 77.27 184CD1 25C7 20CA 92.17 20N 25C7 21NE2 62.89 20N 25C7 20CA 17.26 21NE2 25C7 20CA 47.61 20C 25O8 184NE1 98.56 20O 25O8 19NE2 64.94 20C 25O8 19CD 64.80 20O 25O8 19CG 49.58 20O 25O8 184CD1 86.05 20O 25O8 19OE1 77.25 184NE1 25O8 19NE2 65.95 184NE1 25O8 19CD 51.39 184NE1 25O8 19CG 55.21 184NE1 25O8 184CE2 15.43 184NE1 25O8 184CD1 14.81 184NE1 25O8 19OE1 39.31 19NE2 25O8 19CD 16.73 19NE2 25O8 19CG 29.82 19NE2 25O8 184CE2 79.52 19NE2 25O8 184CD1 66.86 19NE2 25O8 19OE1 26.64 19CD 25O8 19CG 18.32 19CD 25O8 184CE2 66.04 19CD 25O8 184CD1 50.50 19CD 25O8 19OE1 13.90 19CG 25O8 184CE2 70.62 19CG 25O8 184CD1 48.50 19CG 25O8 19OE1 28.11 184CE2 25O8 184CD1 26.04 184CE2 25O8 19OE1 53.16 184CD1 25O8 19OE1 41.64 184NE1 25C9 19NE2 75.95 184NE1 25C9 19CD 58.34 184NE1 25C9 184CE2 18.51 184NE1 25C9 184CZ2 36.32 184NE1 25C9 19OE1 46.11 184NE1 25C9 162CE1 47.88 184NE1 25C9 184CD1 13.15 184NE1 25C9 19CG 58.03 19NE2 25C9 19CD 18.37 19NE2 25C9 184CE2 93.09 19NE2 25C9 19OE1 30.69 19NE2 25C9 162CE1 65.23 19NE2 25C9 184CD1 73.02 19NE2 25C9 19CG 30.00 19CD 25C9 184CE2 76.16 19CD 25C9 184CZ2 89.88 19CD 25C9 19OE1 16.50 19CD 25C9 162CE1 58.87 19CD 25C9 184CD1 54.66 19CD 25C9 19CG 17.52 184CE2 25C9 184CZ2 19.20 184CE2 25C9 19OE1 62.52 184CE2 25C9 162CE1 49.95 184CE2 25C9 184CD1 28.40 184CE2 25C9 19CG 76.51 184CZ2 25C9 19OE1 74.32 184CZ2 25C9 162CE1 47.31 184CZ2 25C9 184CD1 47.47 184CZ2 25C9 19CG 93.64 19OE1 25C9 162CE1 43.44 19OE1 25C9 184CD1 46.14 19OE1 25C9 19CG 29.61 162CE1 25C9 184CD1 58.96 162CE1 25C9 19CG 72.86 184CD1 25C9 19CG 50.05 184NE1 25O10 184CE2 25.08 184NE1 25O10 184CZ2 48.91 184NE1 25O10 19OE1 62.37 184NE1 25O10 19CD 75.84 184NE1 25O10 184CD1 15.34 184NE1 25O10 162CE1 66.14 184NE1 25O10 19NE2 95.76 184NE1 25O10 162ND1 81.12 184NE1 25O10 19CG 70.87 184NE1 25O10 184CD2 22.23 184NE1 25O10 162NE2 52.65 184NE1 25O10 184CH2 53.72 184NE1 25O10 184CG 14.63 184CE2 25O10 184CZ2 25.03 184CE2 25O10 19OE1 84.37 184CE2 25O10 184CD1 37.35 184CE2 25O10 162OE1 66.88 184CE2 25O10 162ND1 77.00 184CE2 25O10 19CG 95.89 184CE2 25O10 184CD2 1O.58 184CE2 25O10 162NE2 51.22 184CE2 25O10 184CH2 28.91 184CE2 25O10 184CG 26.65 184CZ2 25O10 19OE1 99.91 184CZ2 25O10 184CD1 62.29 184CZ2 25O10 162CE1 61.92 184CZ2 25O10 162ND1 65.32 184CZ2 25O10 184CD2 33.91 184CZ2 25O10 162NE2 48.17 184CZ2 25O10 184CH2 7.17 184CZ2 25O10 184CG 51.50 19OE1 25O10 19CD 19.97 19OE1 25O10 184CD1 59.90 19OE1 25O10 162CE1 56.15 19OE1 25O10 19NE2 35.40 19OE1 25O10 162ND1 68.84 19OE1 25O10 19CG 33.29 19OE1 25O10 184CD2 84.51 19OE1 25O10 162NE2 60.20 19OE1 25O10 184CG 72.32 19CD 25O10 184CD1 68.82 19CD 25O10 162CE1 74.19 19CD 25O10 19NE2 20.25 19CD 25O10 162ND1 84.51 19CD 25O10 19CG 19.19 19CD 25O10 184CD2 97.71 19CD 25O10 162NE2 79.91 19CD 25O10 184CG 82.24 184CD1 25O10 162CE1 78.10 184CD1 25O10 19NE2 89.03 184CD1 25O10 162ND1 94.07 184CD1 25O10 19CG 59.77 184CD1 25O10 184CD2 30.63 184CD1 25O10 162NE2 66.09 184CD1 25O10 184CH2 66.12 184CD1 25O10 184CG 13.45 162CE1 25O10 19NE2 78.81 162CE1 25O10 162ND1 16.74 162CE1 25O10 19CG 89.36 162CE1 25O10 184CD2 75.74 162CE1 25O10 162NE2 15.66 162CE1 25O10 184CH2 68.07 162CE1 25O10 184CG 80.42 19NE2 25O10 162ND1 83.89 19NE2 25O10 19CG 33.67 19NE2 25O10 162NE2 89.03 162ND1 25O10 184CD2 86.96 162ND1 25O10 162NE2 28.50 162ND1 25O10 184CH2 70.03 162ND1 25O10 184CG 94.80 19CG 25O10 184CD2 90.39 19CG 25O10 162NE2 91.46 19CG 25O10 184CG 72.81 184CD2 25O10 162NE2 60.21 184CD2 25O10 184CH2 36.32 184CD2 25O10 184CG 18.11 162NE2 25O10 184CH2 54.84 162NE2 25O10 184CG 66.33 184CH2 25O10 184CG 54.39 162ND1 25C11 162CE1 18.33 162ND1 25C11 184CZ2 57.54 162ND1 25C11 19NE2 74.67 162ND1 25C11 162CG 12.31 162CE1 25C11 184CZ2 47.54 162CE1 25C11 19NE2 62.12 162CE1 25C11 162CG 26.24 184CZ2 25C11 19NE2 86.59 184CZ2 25C11 162CG 53.23 19NE2 25C11 162CG 86.37 162ND1 25C12 161O 52.69 161OD1 25C13 162ND1 77.53 161OD1 25C13 161CG 13.50 161OD1 25C13 161O 49.60 161OD1 25C13 162CB 47.00 161OD1 25C13 162CG 64.44 161OD1 25C13 137O 63.21 162ND1 25C13 161CG 86.85 162ND1 25C13 161O 55.29 162ND1 25C13 184CZ2 52.94 162ND1 25C13 162CB 31.13 162ND1 25C13 162CG 16.56 162ND1 25C13 137O 91.79 161CG 25C13 161O 48.18 161CG 25C13 162CB 57.82 161CG 25C13 162CG 75.53 161CG 25C13 137O 72.06 161C 25C13 162CB 45.12 161O 25C13 162CG 55.63 184CZ2 25C13 162CB 67.90 184CZ2 25C13 162CG 52.88 184CZ2 25C13 137O 65.96 162CB 25C13 162CG 17.71 162CB 25C13 137O 73.09 162CG 25C13 137O 76.90 161OD1 25C14 162CB 67.52 161OD1 25C14 162CG 91.93 161OD1 25C14 161O 65.79 161OD1 25C14 161C 49.33 161OD1 25C14 162CA 65.70 161OD1 25C14 161CG 13.81 161OD1 25C14 162N 48.26 161OD1 25C14 137CB 61.84 161OD1 25C14 161CB 32.59 161OD1 25C14 162CD2 97.90 161OD1 25C14 137C 54.56 161OD1 25C14 161CA 38.35 161OD1 25C14 137O 68.99 161OD1 25C14 137CA 49.42 162ND1 25C14 162CB 44.41 162ND1 25C14 162CG 23.28 162ND1 25C14 161O 75.37 162ND1 25C14 161C 79.50 162ND1 25C14 162CA 48.35 162ND1 25C14 162N 68.54 162ND1 25C14 162CE1 14.58 162ND1 25C14 137CB 81.24 162ND1 25C14 162CD2 28.11 162ND1 25C14 184CZ2 60.58 162ND1 25C14 162NE2 21.94 162ND1 25C14 161CA 95.48 162ND1 25C14 137CA 97.09 162CB 25C14 162CG 25.05 162CB 25C14 161O 62.89 162CB 25C14 161C 53.94 162CB 25C14 162CA 21.95 162CB 25C14 161CG 76.82 162CB 25C14 162N 35.96 162CB 25C14 162CE1 55.50 162CB 25C14 137CB 53.40 162CB 25C14 161CB 80.35 162CB 25C14 162CD2 35.20 162CB 25C14 184CZ2 83.43 162CB 25C14 137C 81.05 162CB 25C14 162NE2 49.18 162CB 25C14 161CA 65.39 162CB 25C14 137O 88.14 162CB 25C14 137CA 63.27 162CG 25C14 161O 77.15 162CG 25C14 161C 73.93 162CG 25C14 162CA 38.93 162CG 25C14 162N 57.98 162CG 25C14 162CE1 31.20 162CG 25C14 137CB 59.50 162CG 25C14 162CD2 13.71 162CG 25C14 184CZ2 62.16 162CG 25C14 137C 90.53 162CG 25C14 162NE2 24.37 162CG 25C14 161CA 87.82 162CG 25C14 137O 91.83 162CG 25C14 137CA 74.49 161O 25C14 161C 17.83 161O 25C14 162CA 41.16 161O 25C14 161CG 59.81 161O 25C14 162N 32.33 161O 25C14 162CE1 89.00 161O 25C14 161CB 43.28 161O 25C14 162CD2 90.86 161O 25C14 162NE2 95.79 161O 25C14 161CA 28.30 161C 25C14 162CA 35.01 161C 25C14 161CG 45.86 161C 25C14 162N 18.49 161C 25C14 162CE1 94.05 161C 25C14 137CB 91.74 161C 25C14 161CB 34.16 161C 25C14 162CD2 87.05 161C 25C14 162NE2 96.49 161C 25C14 161CA 16.14 161C 25C14 137CA 88.79 162CA 25C14 161CG 70.29 162CA 25C14 162N 20.32 162CA 25C14 162CE1 62.52 162CA 25C14 137CB 73.16 162CA 25C14 161CB 66.66 162CA 25C14 162CD2 52.11 162CA 25C14 137C 96.91 162CA 25C14 162NE2 62.05 162CA 25C14 161CA 49.32 162CA 25C14 137CA 79.58 161CG 25C14 162N 50.67 161CG 25C14 137CB 75.47 161CG 25C14 161CB 20.44 161CG 25C14 137C 64.73 161CG 25C14 161CA 31.54 161CG 25C14 137O 78.60 161CG 25C14 137CA 62.23 162N 25C14 162CE1 82.81 162N 25C14 137CB 75.61 162N 25C14 161CB 46.58 162N 25C14 162CD2 70.31 162N 25C14 137C 90.94 162N 25C14 162NE2 81.86 162N 25C14 161CA 29.89 162N 25C14 137CA 76.03 162CE1 25C14 137CB 81.53 162CE1 25C14 162CD2 28.99 162CE1 25C14 184CZ2 47.31 162CE1 25C14 162NE2 14.94 162CE1 25C14 137CA 98.37 137CB 25C14 161CB 93.78 137CB 25C14 162CD2 53.66 137CB 25C14 184CZ2 66.27 137CB 25C14 137C 31.04 137CB 25C14 162NE2 66.78 137CB 25C14 161CA 91.93 137CB 25C14 137O 34.84 137CB 25C14 137CA 16.94 161CB 25C14 137C 85.13 161CB 25C14 161CA 18.06 161CB 25C14 137O 98.82 161CB 25C14 137CA 82.61 162CD2 25C14 184CZ2 49.12 162CD2 25C14 137C 84.06 162CD2 25C14 162NE2 16.33 162CD2 25C14 137O 82.53 162CD2 25C14 137CA 70.12 184CZ2 25C14 137C 79.92 184CZ2 25C14 162NE2 40.56 184CZ2 25C14 137O 67.98 184CZ2 25C14 137CA 79.44 137C 25C14 162NE2 95.36 137C 25C14 161CA 92.71 137C 25C14 137O 14.52 137C 25C14 137CA 17.79 162NE2 25C14 137O 90.59 162NE2 25C14 137CA 83.69 161CA 25C14 137CA 84.51 137O 25C14 137CA 28.01 137O 25C15 184CZ2 82.18 137O 25C15 184CH2 65.00 137O 25C15 137C 15.27 137O 25C15 161OD1 65.35 137O 25C15 138CA 35.59 137O 25C15 138N 27.26 137O 25C15 137CB 35.12 184CZ2 25C15 184CH2 18.93 184CZ2 25C15 137C 89.79 184CZ2 25C15 137CB 65.87 184CH2 25C15 137C 74.80 184CH2 25C15 138N 90.34 184CH2 25C15 137CB 56.59 137C 25C15 161OD1 50.24 137C 25C15 138CA 30.23 137C 25C15 138N 15.68 137C 25C15 137CB 30.32 161OD1 25C15 138CA 56.67 161OD1 25C15 138N 45.35 161OD1 25C15 137CB 48.96 161C 25C14 161CB 34.16 161C 25C14 162CD2 87.05 161C 25C14 162NE2 96.49 161C 25C14 161CA 16.14 161C 25C14 137CA 88.79 162CA 25C14 161CG 70.29 162CA 25C14 162N 20.32 162CA 25C14 162CE1 62.52 162CA 25C14 137CB 73.16 162CA 25C14 161CB 66.66 162CA 25C14 162CD2 52.11 162CA 25C14 137C 96.91 162CA 25C14 162NE2 62.05 162CA 25C14 161CA 49.32 162CA 25C14 137CA 79.58 161CG 25C14 162N 50.67 161CG 25C14 137CB 75.47 161CG 25C14 161CB 20.44 161CG 25C14 137C 64.73 161CG 25C14 161CA 31.54 161CG 25C14 137O 78.60 161CG 25C14 137CA 62.23 162N 25C14 162CE1 82.81 162N 25C14 137CB 75.61 162N 25C14 161CB 46.58 162N 25C14 162CD2 70.31 162N 25C14 137C 90.94 162N 25C14 162NE2 81.86 162N 25C14 161CA 29.89 162N 25C14 137CA 76.03 162CE1 25C14 137CB 81.53 162CE1 25C14 162CD2 28.99 162CE1 25C14 184CZ2 47.31 162CE1 25C14 162NE2 14.94 162CE1 25C14 137CA 98.37 137CB 25C14 161CB 93.78 137CB 25C14 162CD2 53.66 137CB 25C14 184CZ2 66.27 137CB 25C14 137C 31.04 137CB 25C14 162NE2 66.78 137CB 25C14 161CA 91.93 137CB 25C14 137O 34.84 137CB 25C14 137CA 16.94 161CB 25C14 137C 85.13 161CB 25C14 161CA 18.06 161CB 25C14 137O 98.82 161CB 25C14 137CA 82.81 162CD2 25C14 184CZ2 49.12 162CD2 25C14 137C 84.06 162CD2 25C14 162NE2 16.33 162CD2 25C14 137O 82.53 162CD2 25C14 137CA 70.12 184CZ2 25C14 137C 79.92 184CZ2 25C14 162NE2 40.56 184CZ2 25C14 137O 67.98 184CZ2 25C14 137CA 79.44 137C 25C14 162NE2 95.36 137C 25C14 161CA 92.71 137C 25C14 137O 14.52 137C 25C14 137CA 17.79 162NE2 25C14 137O 90.59 162NE2 25C14 137CA 83.69 161CA 25C14 137CA 84.51 137O 25C14 137CA 28.01 137O 25C15 184CZ2 82.18 137O 25C15 184CH2 65.00 137O 25C15 137C 15.27 137O 25C15 161OD1 65.35 137O 25C15 138CA 35.59 137O 25C15 138N 27.26 137O 25C15 137CB 35.12 184CZ2 25C15 184CH2 18.93 184CZ2 25C15 137C 89.79 184CZ2 25C15 137CB 65.87 184CH2 25C15 137C 74.80 184CH2 25C15 138N 90.34 184CH2 25C15 137CB 56.59 137C 25C15 161OD1 50.24 137C 25C15 138CA 30.23 137C 25C15 138N 15.68 137C 25C15 137CB 30.32 161OD1 25C15 138CA 56.67 161OD1 25C15 138N 45.35 161OD1 25C15 137CB 48.96 138CA 25C15 138N 17.26 138CA 25C15 137CB 59.96 138N 25C15 137CB 43.35 162ND1 25C16 25SG 47.96 162ND1 25C16 19NE2 81.02 162ND1 25C16 162CE1 17.42 162ND1 25C16 161O 59.00 25SG 25C16 19NE2 64.48 25SG 25C16 162CE1 51.01 25SG 25C16 23CA 79.30 25SG 25C16 161O 61.60 19NE2 25C16 162CE1 65.94 19NE2 25C16 23CA 51.63 162CE1 25C16 161O 76.23 23CA 25O17 19NE2 63.28 23CA 25O17 23C 18.00 23CA 25O17 23N 16.04 23CA 25O17 22O 36.68 23CA 25O17 25SG 86.81 23CA 25O17 22C 27.89 23CA 25O17 19CD 75.23 23CA 25O17 23O 26.79 23CA 25O17 24N 26.12 19NE2 25O17 23C 56.89 19NE2 25O17 23N 63.52 19NE2 25O17 22O 37.86 19NE2 25O17 25SG 64.03 19NE2 25O17 22C 51.98 19NE2 25O17 19CD 12.01 19NE2 25O17 23O 67.69 19NE2 25O17 24N 42.39 23C 25O17 23N 32.96 23C 25O17 22O 43.34 23C 25O17 25SG 68.82 23C 25O17 22C 40.37 23C 25O17 19CD 68.57 23C 25O17 23O 13.76 23C 25O17 24N 14.50 23N 25O17 22O 28.82 23N 25O17 22C 15.59 23N 25O17 19CD 74.62 23N 25O17 23O 42.84 23N 25O17 24N 36.39 22O 25.017 25SG 92.75 22O 25O17 22C 14.54 22O 25O17 19CD 47.50 22O 25O17 23O 57.03 22O 25O17 24N 35.11 25SG 25O17 19CD 63.67 25SG 25O17 23O 64.10 25SG 25O17 24N 64.69 22C 25O17 19CD 61.99 22C 25O17 23O 52.87 22C 25O17 24N 37.51 19CD 25O17 23O 78.75 19CD 25O17 24N 54.07 23O 25O17 24N 64.69 25SG 25N18 162ND1 59.84 25SG 25N18 161O 84.84 25SG 25N18 162CE1 58.94 25SG 25N18 25CB 19.83 25SG 25N18 162CG 65.68 25SG 25N18 161C 84.84 25SG 25N18 162CA 63.77 25SG 25N18 162CB 72.00 25SG 25N18 19NE2 64.56 162ND1 25N18 161O 77.72 162ND1 25N18 162CE1 17.48 162ND1 25N18 26CB 52.80 162ND1 25N18 1562CG 12.09 162ND1 25N18 161C 70.93 162ND1 25N18 162CA 42.08 162ND1 25N18 162CB 29.83 162ND1 25N18 19NE2 80.21 161O 25N18 162CE1 95.07 161O 25N18 162CG 66.81 161O 25N18 161C 7.83 161O 25N18 162CA 36.26 161O 25N18 162CB 49.33 162CE1 25N18 25CB 45.72 162CE1 25N18 162CG 29.21 162CE1 25N18 161C 88.39 162CE1 25N18 162CA 59.10 162CE1 25N18 162CB 47.16 162CE1 25N18 19NE2 63.44 25CB 25N18 162CG 62.19 25CB 25N18 161C 98.68 25CB 25N18 162CA 72.18 25CB 25N18 162CB 74.19 25CB 25N18 19NE2 48.00 162CG 25N18 161C 59.70 162CG 25N18 162CA 32.47 162CG 25N18 162CB 17.97 162CG 25N18 19NE2 92.29 161C 25N18 162CA 30.47 161C 25N18 162CB 41.99 162CA 25N18 162CB 18.49 25SG 25C19 161O 87.86 25SG 25C19 25CB 17.43 25SG 25C19 162ND1 51.44 25SG 25C19 23O 85.01 25SG 25C19 23C 84.49 25SG 25C19 25N 40.23 25SG 25C19 161C 84.17 25SG 25C19 162CE1 48.33 25SG 25C19 19NE2 65.89 161O 25C19 162ND1 65.41 161O 25C19 161C 3.96 161O 25C19 162CE1 79.95 25CB 25C19 162ND1 50.53 25CB 25C19 23CA 87.26 25CB 25C19 23O 79.49 25CB 25C19 23C 74.66 25CB 25C19 25N 31.30 25CB 25C19 161C 97.21 25CB 25C19 162CE1 42.12 25CB 25C19 19NE2 48.60 162ND1 25C19 25N 81.01 162ND1 25C19 161C 61.89 162ND1 25C19 162CE1 14.54 162ND1 25C19 19NE2 72.57 23CA 25C19 23O 31.62 23CA 25C19 23C 19.66 23CA 25C19 25N 60.25 23CA 25C19 19NE2 49.27 23O 25C19 23C 15.91 23O 25C19 25N 48.22 23O 25C19 19NE2 64.33 23C 25C19 25N 44.48 23C 25C19 19NE2 49.75 25N 25C19 162CE1 70.28 25N 25C19 19NE2 41.94 161C 25C19 162CE1 76.42 162CE1 25C19 19NE2 58.03 19NE2 25N20 184NE1 61.55 19NE2 25N20 184CZ2 88.39 19NE2 25N20 162CE1 59.51 19NE2 25N20 19CD 15.18 184NE1 25N20 184CZ2 30.44 184NE1 25N20 162CE1 42.35 184NE1 25N20 19CD 46.54 184CZ2 25N20 162CE1 43.21 184CZ2 25N20 19CD 74.46 162CE1 25N20 19CD 52.22 161O 25C21 25SG 96.09 161O 25C21 161C 6.24 161O 25C21 162CA 33.10 161O 25C21 162N 17.36 161O 25C21 162ND1 61.84 161O 25C21 25CB 99.78 161O 25C21 163N 59.11 25SG 25C21 161C 94.55 25SG 25C21 162CA 63.31 25SG 25C21 162N 80.59 25SG 25C21 162ND1 43.09 25SG 25C21 25CB 6.39 25SG 25C21 163N 44.50 161C 25C21 162CA 31.26 161C 25C21 162N 14.07 161C 25C21 162ND1 63.41 161C 25C21 25CB 98.77 161C 25C21 163N 55.24 162CA 25C21 162N 17.54 162CA 25C21 162ND1 37.75 162CA 25C21 25CB 67.54 162CA 25C21 163N 28.93 162N 25C21 162ND1 52.75 162N 25C21 25CB 85.01 162N 25C21 163N 41.75 162ND1 25C21 25CB 43.42 162ND1 25C21 163N 45.75 25CB 25C21 163N 50.47 25SG 25C22 25CB 32.60 25SG 25C22 25N 72.57 25SG 25C22 25CA 49.33 25SG 25C22 19NE2 93.81 25SG 25C22 26N 55.18 25SG 25C22 162ND1 47.43 25SG 25C22 24C 82.40 25SG 25C22 25C 44.53 25SG 25C22 162CE1 48.15 25SG 25C22 161O 75.53 25SG 25C22 26CD1 94.13 25SG 25C22 19OE1 68.36 25SG 25C22 19CD 81.56 25CB 25C22 25N 46.75 25CB 25C22 25CA 24.63 25CB 25C22 19NE2 63.05 25CB 25C22 24N 85.73 25CB 25C22 26N 52.12 25CB 25C22 162ND1 56.93 25CB 25C22 24C 57.01 25CB 25C22 25C 34.57 25CB 25C22 162CE1 46.25 25CB 25C22 24CA 75.71 25CB 25C22 26CD1 92.36 25CB 25C22 19OE1 41.24 25CB 25C22 19CD 51.95 25N 25C22 25CA 23.55 25N 25C22 23O 65.42 25N 25C22 23C 60.13 25N 25C22 23CA 77.28 25N 25C22 19NE2 54.87 25N 25C22 24N 43.20 25N 25C22 26N 39.45 25N 25C22 24C 10.31 25N 25C22 25C 33.15 25N 25C22 162CE1 88.28 25N 25C22 24CA 29.39 25N 25C22 26CD1 58.64 25N 25C22 19OE1 57.16 25N 25C22 19CD 54.20 25CA 25C22 23O 88.34 25CA 25C22 23C 83.54 25CA 25C22 23CA 99.22 25CA 25C22 19NE2 61.73 25CA 25C22 24N 66.05 25CA 25C22 26N 35.11 25CA 25C22 162ND1 81.55 25CA 25C22 24C 33.75 25CA 25C22 25C 19.23 25CA 25C22 162CE1 69.99 25CA 25C22 24CA 52.91 25CA 25C22 26CD1 70.42 25CA 25C22 19OE1 50.96 25CA 25C22 19CD 55.14 23O 25C22 23C 19.26 23O 25C22 23CA 35.89 23O 25C22 19NE2 79.72 23O 25C22 24N 32.92 23O 25C22 26N 78.15 23O 25C22 24C 55.15 23O 25C22 25C 88.29 23O 25C22 24CA 36.77 23O 25C22 26CD1 45.35 23O 25C22 19CD 90.80 23C 25C22 23CA 22.09 23C 25C22 19NE2 61.06 23C 25C22 24N 18.52 23C 25C22 26N 84.89 23C 25C22 24C 50.29 23C 25C22 25C 89.80 23C 25C22 24CA 31.49 23C 25C22 26CD1 60.86 23C 25C22 19OE1 86.44 23C 25C22 19CD 72.74 23CA 25C22 19NE2 57.32 23CA 25C22 24N 34.39 23CA 25C22 24C 68.55 23CA 25C22 24CA 51.33 23CA 25C22 26CD1 81.00 23CA 25C22 19OE1 84.42 23CA 25C22 19CD 70.13 19NE2 25C22 24N 48.45 19NE2 25C22 26N 93.13 19NE2 25C22 162ND1 81.54 19NE2 25C22 24C 55.55 19NE2 25C22 25C 80.63 19NE2 25C22 162CE1 65.93 19NE2 25C22 24CA 57.12 19NE2 25C22 19OE1 27.13 19NE2 25C22 19CD 12.81 24N 25C22 26N 74.25 24N 25C22 24C 34.17 24N 25C22 25C 75.06 24N 25C22 24CA 17.99 24N 25C22 26CD1 62.40 24N 25C22 19OE1 70.97 24N 25C22 19CD 58.41 26N 25C22 24C 43.27 26N 25C22 25C 17.72 26N 25C22 162CE1 96.42 26N 25C22 24CA 56.30 26N 25C22 26CD1 41.56 26N 25C22 19OE1 86.07 26N 25C22 19CD 89.17 162ND1 25C22 25C 87.29 162ND1 25C22 162CE1 16.50 162ND1 25C22 161C 57.76 162ND1 25C22 19OE1 57.61 162ND1 25C22 19CD 70.43 24C 25C22 25C 40.95 24C 25C22 162CE1 97.34 24C 25C22 24CA 19.17 24C 25C22 26CD1 53.28 24C 25C22 19OE1 63.13 24C 25C22 19CD 57.60 25C 25C22 162CE1 79.88 25C 25C22 24CA 58.50 25C 25C22 26CD1 58.12 25C 25C22 19OE1 69.35 25C 25C22 19CD 74.36 162CE1 25C22 161O 74.20 162CE1 25C22 19OE1 41.17 162CE1 25C22 19CD 54.32 24CA 25C22 26CD1 49.39 24CA 25C22 19OE1 73.34 24CA 25C22 19CD 63.76 19OE1 25C22 19CD 14.35 25SG 25O23 25N 75.69 25SG 25O23 25CB 37.11 25SG 25O23 25CA 54.99 25SG 25O23 24C 90.69 25SG 25O23 19OE1 83.77 25SG 25O23 25C 48.15 25SG 25O23 26N 51.79 25SG 25O23 162ND1 44.43 25SG 25O23 162CE1 52.19 25SG 25O23 24O 85.50 25N 25O23 25CB 51.43 25N 25O23 19NE2 75.55 25N 25O23 23C 76.45 25N 25O23 24N 57.15 25N 25O23 23O 76.49 25N 25O23 25CA 24.40 25N 25O23 24C 15.43 25N 25O23 24CA 38.06 25N 25O23 19CD 72.15 25N 25O23 19OE1 71.82 25N 25O23 22O 86.12 25N 25O23 25C 27.77 25N 25O23 26N 33.20 25N 25O23 23N 97.97 25N 25O23 162CE1 94.44 25N 25O23 24O 9.85 25N 25O23 22C 91.69 25CB 25O23 19NE2 80.56 25CB 25O23 25CA 27.06 25CB 25O23 24C 66.23 25CB 25O23 24CA 89.22 25CB 25O23 19CD 67.04 25CB 25O23 19OE1 52.55 25CB 25O23 25C 33.18 25CB 25O23 26N 48.61 25CB 25O23 162ND1 52.03 25CB 25O23 162CE1 45.88 25CB 25O23 24O 59.52 19NE2 25O23 23C 84.54 19NE2 25O23 24N 66.47 19NE2 25O23 23CA 78.32 19NE2 25O23 25CA 77.61 19NE2 25O23 24C 71.54 19NE2 25O23 24CA 74.20 19NE2 25O23 19CD 14.67 19NE2 25O23 19OE1 32.03 19NE2 25O23 22O 39.73 19NE2 25O23 25C 93.21 19NE2 25O23 23N 68.79 19NE2 25O23 162ND1 89.64 19NE2 25O23 162CE1 73.89 19NE2 25O23 24O 69.92 19NE2 25O23 22C 53.32 23C 25O23 24N 24.58 23C 25O23 23CA 28.13 23C 25O23 23O 21.76 23C 25O23 24C 61.59 23C 25O23 24CA 38.61 23C 25O23 19CD 97.49 23C 25O23 22O 49.19 23C 25O23 25C 99.27 23C 25O23 26N 90.14 23C 25O23 23N 30.80 23C 25O23 24O 68.35 23C 25O23 22C 39.19 24N 25O23 23CA 44.35 24N 25O23 23O 40.46 24N 25O23 25CA 80.66 24N 25O23 24C 41.72 24N 25O23 24CA 20.87 24N 25O23 19CD 77.11 24N 25O23 19OE1 91.57 24N 25O23 22O 41.76 24N 25O23 25C 83.71 24N 25O23 26N 80.39 24N 25O23 23N 41.16 24N 25O23 24O 47.80 24N 25O23 22C 39.24 23CA 25O23 23O 43.14 23CA 25O23 24C 85.95 23CA 25O23 24CA 63.70 23CA 25O23 19CD 92.98 23CA 25O23 22O 38.70 23CA 25O23 23N 9.54 23CA 25O23 24O 92.15 23CA 25O23 22C 25.05 23O 25O23 25CA 99.19 23O 25O23 24C 64.48 23O 25O23 24CA 44.29 23O 25O23 22O 70.90 23O 25O23 25C 91.92 23O 25O23 26N 78.46 23O 25O23 23N 49.19 23O 25O23 24O 71.18 23O 25O23 22C 60.24 25CA 25O23 24C 39.48 25CA 25O23 24CA 62.38 25CA 25O23 19CD 68.41 25CA 25O23 19OE1 60.76 25CA 25O23 25C 15.95 25CA 25O23 26N 32.35 25CA 25O23 162ND1 79.08 25CA 25O23 162CE1 71.50 25CA 25O23 24O 32.98 24C 25O23 24CA 22.98 24C 25O23 19CD 72.19 24C 25O23 19OE1 76.64 24C 25O23 22O 73.41 24C 25O23 25C 42.54 24C 25O23 26N 44.02 24C 25O23 23N 82.66 24C 25O23 24O 6.88 24C 25O23 22C 77.34 24CA 25O23 19CD 80.54 24CA 25O23 19OE1 90.57 24CA 25O23 22O 60.20 24CA 25O23 25C 63.31 24CA 25O23 26N 59.62 24CA 25O23 23N 61.69 24CA 25O23 24O 29.75 24CA 25O23 22C 59.80 19CD 25O23 19OE1 17.43 19CD 25O23 22O 54.37 19CD 25O23 25C 84.36 19CD 25O23 26N 99.96 19CD 25O23 23N 83.45 19CD 25O23 162ND1 76.89 19CD 25O23 162CE1 60.68 19CD 25O23 24O 68.84 19CD 25O23 22C 67.98 19OE1 25O23 22O 71.76 19OE1 25O23 25C 76.10 19OE1 25O23 26N 93.05 19OE1 25O23 162ND1 60.98 19OE1 25O23 162CE1 44.53 19OE1 25O23 24O 71.61 19OE1 25O23 22C 85.33 22O 25O23 23N 29.15 22O 25O23 24O 76.62 22O 25O23 22C 13.64 25C 25O23 26N 17.16 25C 25O23 162ND1 82.30 25C 25O23 162CE1 78.86 25C 25O23 24O 37.62 26N 25O23 162ND1 92.78 26N 25O23 162CE1 92.75 26N 25O23 24O 41.67 23N 25O23 24O 88.33 23N 25O23 22C 15.51 162ND1 25O23 162CE1 16.46 24O 25O23 22C 81.85 65CA 25C24 66N 33.46 65CA 25C24 65C 20.36 65CA 25C24 64O 36.58 65CA 25C24 66O 68.87 66N 25C24 65C 17.64 66N 25C24 64O 67.62 66N 25C24 66O 36.45 65C 25C24 64O 5O.58 65C 25C24 66O 53.76 66O 25C25 66N 40.06 66O 25C25 66C 8.90 66O 25C25 65CA 70.27 66O 25C25 65C 53.58 161O 25C25 161C 14.86 161O 25C25 161CA 28.19 161O 25C25 25SG 60.39 66N 25C25 66C 31.52 66N 25C25 65CA 30.22 66N 25C25 25SG 91.38 66N 25C25 65C 14.24 161C 25C25 161CA 17.63 161C 25C25 25SG 69.22 66C 25C25 65CA 61.71 66C 25C25 65C 44.80 65CA 25C25 25SG 82.36 65CA 25C25 65C 17.73 161CA 25C25 25SG 86.68 25SG 25C25 65C 92.33 66O 25C26 66C 3.30 66O 25C26 163CB 87.58 161O 25C26 161C 15.84 161O 25C26 163N 56.85 161O 25C26 160O 61.70 161O 25C26 163CB 84.35 161O 25C26 162N 27.01 161O 25C26 161CA 28.97 161C 25C26 163N 55.26 161C 25C26 160O 50.24 161C 25C26 163CB 84.79 161C 25C26 162N 15.32 161C 25C26 161CA 17.79 163N 25C26 160O 95.75 163N 25C26 163CB 29.64 163N 25C26 162N 42.53 163N 25C26 161CA 71.03 66C 25C26 163CB 89.72 160O 25C26 162N 56.11 160O 25C26 161CA 33.06 163CB 25C26 162N 72.06 162N 25C26 161CA 28.56 160O 25C27 160C 16.28 160O 25C27 161CA 39.86 160O 25C27 161C 59.69 160O 25C27 161N 29.94 160O 25C27 161O 70.88 160O 25C27 160CB 39.29 160O 25C27 134CB 91.77 160O 25C27 162N 65.04 160C 25C27 161CA 33.56 160C 25C27 161C 50.71 160C 25C27 161N 17.29 160C 25C27 161O 64.68 160C 25C27 160CB 32.70 160C 25C27 134CB 77.93 160C 25C27 162N 52.23 161CA 25C27 161C 20.25 161CA 25C27 161N 19.14 161CA 25C27 161O 31.54 161CA 25C27 160CB 64.50 161CA 25C27 134CB 90.77 161CA 25C27 162N 30.47 161C 25C27 161N 33.69 161C 25C27 161O 15.99 161C 25C27 160CB 77.36 161C 25C27 134CB 85.39 161C 25C27 162N 15.75 161N 25C27 161O 48.38 161N 25C27 160CB 45.58 161N 25C27 134CB 77.13 161N 25C27 162N 35.42 161O 25C27 160CB 93.10 161O 25C27 134CB 96.47 161O 25C27 162N 27.78 66O 25C27 209CD2 83.62 160CB 25C27 134CB 56.56 160CB 25C27 162N 71.89 160CB 25C27 209CD2 69.27 134CB 25C27 162N 69.95 134CB 25C27 209CD2 49.25 160O 25C28 160C 11.12 160O 25C28 161CA 34.92 160O 25C28 161N 22.64 160C 25C28 161CA 30.68 160C 25C28 161N 14.74 67CE1 25C28 66O 57.93 67CE1 25C28 67CD1 16.20 161CA 25C28 161N 17.22 66O 25C28 67CD1 44.47 209CD2 25C29 134CB 68.69 209CD2 25C29 160CB 90.30 209CD2 25C29 67CD1 65.58 209CD2 25C29 66O 98.85 209CD2 25C29 209CG 7.93 209CD2 25C29 67CE1 70.23 134CB 25C29 160CB 68.29 134CB 25C29 160C 85.31 134CB 25C29 209CG 62.21 160O 25C29 160CB 42.09 160O 25C29 160C 15.52 160CB 25C29 160C 33.72 160CB 25C29 209CG 83.59 67CD1 25C29 66O 45.57 67CD1 25C29 209CG 73.48 67CD1 25C29 67CE1 16.51 66O 25C29 67CE1 56.12 209CG 25C29 67CE1 77.57 66O 25C30 66N 46.15 66O 25C30 65CA 82.36 66O 25C30 26CD1 69.05 66O 25C30 26CB 54.83 66C 25C30 65C 61.73 66O 25C30 66C 12.32 66O 25C30 66CA 31.12 66O 25C30 26CG 57.20 66O 25C30 26N 86.09 66O 25C30 163CB 86.18 66N 25C30 65CA 36.68 66N 25C30 26CD1 45.40 66N 25C30 26CB 62.49 66N 25C30 65C 16.57 66N 25C30 66C 34.22 66N 25C30 66CA 15.04 66N 25C30 26CG 48.20 66N 25C30 26N 85.31 25SG 25C30 26CD1 80.34 25SG 25C30 26CB 78.23 25SG 25C30 161O 67.14 25SG 25C30 26CG 83.17 25SG 25C30 26N 47.19 25SG 25C30 163CB 52.42 25SG 25C30 163N 44.84 65CA 25C30 26CD1 53.97 65CA 25C30 26CB 86.07 65CA 25C30 65C 20.64 65CA 25C30 66C 70.78 65CA 25C30 66CA 51.58 65CA 25C30 26CG 67.39 65CA 25C30 26N 93.38 26CD1 25C30 26CB 34.81 26CD1 25C30 65C 49.80 26CD1 25C30 66C 59.13 26CD1 25C30 66CA 50.39 26CD1 25C30 26CG 17.00 26CD1 25C30 26N 42.15 26CD1 25C30 163CB 83.57 26CB 25C30 65C 74.87 26CB 25C30 66C 51.73 26CB 25C30 66CA 56.97 26CB 25C30 26CG 18.84 26CB 25C30 26N 31.41 26CB 25C30 163CB 54.44 26CB 25C30 163N 82.52 65C 25C30 66C 50.25 65C 25C30 66CA 31.10 65C 25C30 26CG 58.02 65C 25C30 26N 91.94 161O 25C30 163CB 83.35 161O 25C30 163N 54.69 66C 25C30 66CA 19.22 66C 25C30 26CG 49.60 66C 25C30 26N 82.89 66C 25C30 163CB 92.24 66CA 25C30 26CG 47.25 66CA 25C30 26N 84.74 26CG 25C30 26N 37.73 26CG 25C30 163CB 71.86 26CG 25C30 163N 98.68 26N 25C30 163CB 44.77 26N 25C30 163N 65.10 163CB 25C30 163N 28.72 66O 25O31 66N 61.37 66O 25O31 26CB 77.21 66O 25O31 26CD1 95.50 66O 25O31 66C 18.26 66O 25O31 26CG 80.22 66O 25O31 66CA 41.13 66O 25O31 65C 76.22 66O 25O31 65CA 98.52 66O 25O31 26CA 93.42 66O 25O31 26NE1 92.30 66O 25O31 67N 17.71 66O 25O31 26CD2 73.43 66O 25O31 65O 71.00 66N 25O31 26CB 86.34 66N 25O31 26CD1 59.28 66N 25O31 66C 45.73 66N 25O31 26CG 65.50 66N 25O31 66CA 21.43 66N 25O31 65C 16.23 66N 25O31 65CA 39.07 66N 25O31 26NE1 49.90 66N 25O31 67N 52.44 66N 25O31 26CD2 57.23 66N 25O31 65O 11.55 26CB 25O31 26CD1 45.93 26CB 25O31 66C 70.12 26CB 25O31 26CG 25.17 26CB 25O31 66CA 76.25 26CB 25O31 65C 96.29 26CB 25O31 26N 36.99 26CB 25O31 26CA 18.87 26CB 25O31 25SG 86.19 26CB 25O31 26NE1 53.75 26CB 25O31 67N 63.56 26CB 25O31 163CB 61.81 26CB 25O31 26CD2 30.74 26CB 25O31 65O 94.86 26CD1 25O31 66C 78.62 26CD1 25O31 26CG 22.75 26CD1 25O31 66CA 65.15 26CD1 25O31 65C 60.18 26CD1 25O31 65CA 62.48 26CD1 25O31 26N 50.53 26CD1 25O31 26CA 52.01 26CD1 25O31 25SG 86.23 26CD1 25O31 26NE1 10.06 26CD1 25O31 67N 77.85 26CD1 25O31 163CB 97.88 26CD1 25O31 26CD2 24.53 26CD1 25O31 65O 61.57 66C 25O31 26CG 66.43 66C 25O31 66CA 24.43 66C 25O31 65C 61.60 66C 25O31 65CA 84.54 66C 25O31 26CA 88.49 66C 25O31 26NE1 74.51 66C 25O31 67N 8.31 66C 25O31 26CD2 58.54 66C 25O31 65O 56.49 26CG 25O31 66CA 61.97 26CG 25O31 65C 72.65 26CG 25O31 65CA 81.58 26CG 25O31 26N 45.87 26CG 25O31 26CA 37.48 26CG 25O31 25SG 92.89 26CG 25O31 26NE1 29.02 26CG 25O31 67N 62.96 26CG 25O31 163CB 84.79 26CG 25O31 26CD2 9.01 26CG 25O31 65O 72.10 66CA 25O31 65C 37.55 66CA 25O31 65CA 60.47 66CA 25O31 26CA 94.80 66CA 25O31 26NE1 58.06 66CA 25O31 67N 31.03 66CA 25O31 26CD2 52.97 66CA 25O31 65O 32.59 65C 25O31 65CA 22.96 65C 25O31 26NE1 50.12 65C 25O31 67N 68.57 65C 25O31 26CD2 65.66 65C 25O31 65O 5.21 65CA 25O31 26NE1 53.45 65CA 25O31 67N 91.50 65CA 25O31 26CD2 77.14 65CA 25O31 65O 28.05 26N 25O31 26CA 20.41 26N 25O31 25SG 49.78 26N 25O31 26NE1 60.51 26N 25O31 163CB 48.83 26N 25O31 26CD2 54.87 26CA 25O31 25SG 67.76 26CA 25O31 26NE1 61.63 26CA 25O31 67N 81.48 26CA 25O31 163CB 47.51 26CA 25O31 26CD2 45.43 25SG 25O31 26NE1 93.17 25SG 25O31 163CB 52.44 26NE1 25O31 67N 75.15 26NE1 25O31 26CD2 27.61 26NE1 25O31 65O 51.59 67N 25O31 26CD2 55.84 67N 25O31 65O 63.57 163CB 25O31 26CD2 92.09 26CD2 25O31 65O 64.59 25SG 25N32 161O 82.28 25SG 25N32 23O 84.49 25SG 25N32 26CD1 88.80 25SG 25N32 26N 50.25 25SG 25N32 25CB 9.66 25SG 25N32 25N 39.55 25SG 25N32 163N 46.38 25SG 25N32 26CB 79.05 25SG 25N32 161C 82.48 25SG 25N32 23C 74.25 161O 25N32 25CB 91.92 61O 25N32 163N 57.92 161O 25N32 161C 9.03 65CA 25N32 66N 32.94 65CA 25N32 23O 48.76 65CA 25N32 26CD1 52.31 65CA 25N32 26N 94.41 65CA 25N32 25N 92.40 65CA 25N32 65C 17.26 65CA 25N32 66O 67.39 65CA 25N32 26CB 78.37 65CA 25N32 23C 60.93 66N 25N32 23O 68.51 66N 25N32 26CD1 41.20 66N 25N32 26N 79.04 66N 25N32 25N 94.92 66N 25N32 65C 15.81 66N 25N32 66O 35.14 66N 25N32 26CB 53.15 66N 25N32 23C 81.78 23O 25N32 26CD1 46.25 23O 25N32 26N 67.84 23O 25N32 25CB 76.13 23O 25N32 25N 47.96 23O 25N32 65C 59.32 23O 25N32 66O 99.28 23O 25N32 26CB 75.73 23O 25N32 23C 13.32 26CD1 25N32 23C 55.94 26CD1 25N32 25CB 79.55 26CD1 25N32 25N 54.01 26CD1 25N32 65C 45.85 26CD1 25N32 66O 57.60 26CD1 25N32 26CB 31.68 26CD1 25N32 23C 55.94 26N 25N32 25CB 42.72 26N 25N32 25N 33.34 26N 25N32 65C 87.61 26N 25N32 66O 74.76 26N 25N32 163N 67.13 26N 25N32 26CB 30.37 26N 25N32 23C 68.06 25CB 25N32 25N 30.07 25CB 25N32 163N 53.14 25CB 25N32 26CB 72.55 25CB 25N32 161C 92.10 25CB 25N32 23C 66.78 25N 25N32 65C 95.38 25N 25N32 163N 80.01 25N 25N32 26CB 60.55 25N 25N32 23C 41.68 65C 25N32 66O 50.19 65C 25N32 26CB 65.71 65C 25N32 23C 72.49 66O 25N32 163N 92.86 66O 25N32 26CB 44.71 163N 25N32 26CB 78.55 163N 25N32 161C 52.17 26CB 25N32 23C 82.47 25SG 25C33 25N 62.03 25SG 25C33 26N 67.44 25SG 25C33 25CB 22.53 25SG 25C33 25CA 44.14 25SG 25C33 25C 51.85 25SG 25C33 24N 94.55 25SG 25C33 24C 75.69 25SG 25C33 26CB 94.29 25SG 25C33 24CA 93.12 25SG 25C33 26CA 77.03 25SG 25C33 161O 66.31 23O 25C33 25N 68.18 23O 25C33 26CD1 60.30 23O 25C33 26N 92.61 23O 25C33 23C 18.66 23O 25C33 25CA 89.03 23O 25C33 65CA 56.48 23O 25C33 25C 96.38 23O 25C33 24N 30.61 23O 25C33 24C 56.80 23O 25C33 26CG 75.69 23O 25C33 26CB 94.54 23O 25C33 23CA 32.16 23O 25C33 66N 77.02 23O 25C33 24CA 37.25 23O 25C33 26CA 97.15 23O 25C33 26NE1 47.95 23O 25C33 65C 65.17 23O 25C33 65N 43.20 25N 25C33 26CD1 73.26 25N 25C33 26N 44.51 25N 25C33 25CB 39.50 25N 25C33 23C 59.79 25N 25C33 25CA 20.88 25N 25C33 25C 34.96 25N 25C33 24N 40.75 25N 25C33 24C 13.79 25N 25C33 26CG 73.79 25N 25C33 26CB 75.59 25N 25C33 23CA 69.58 25N 25C33 24CA 31.77 25N 25C33 26CA 59.60 25N 25C33 26NE1 73.01 26CD1 25C33 26N 53.40 26CD1 25C33 23C 74.18 26CD1 25C33 25CA 82.03 26CD1 25C33 65CA 58.73 26CD1 25C33 25C 69.11 26CD1 25C33 24N 71.72 26CD1 25C33 24C 61.69 26CD1 25C33 26CG 15.97 26CD1 25C33 26CB 35.58 26CD1 25C33 23CA 91.94 26CD1 25C33 66N 43.00 26CD1 25C33 24CA 56.83 26CD1 25C33 26CA 46.45 26CD1 25C33 26NE1 12.72 26CD1 25C33 65C 47.83 26CD1 25C33 65N 61.48 26N 25C33 25CB 53.84 26N 25C33 23C 92.65 26N 25C33 25CA 37.01 26N 25C33 25C 17.36 26N 25C33 25N 77.69 26N 25C33 24C 45.23 26N 25C33 26CG 43.00 26N 25C33 26CB 34.40 26N 25C33 66N 88.08 26N 25C33 24CA 60.35 26N 25C33 26CA 15.70 26N 25C33 26NE1 62.43 26N 25C33 65C 98.83 25CB 25C33 23C 89.77 25CB 25C33 25CA 22.60 25CB 25C33 25C 36.53 25CB 25C33 24N 74.40 25CB 25C33 24C 53.16 25CB 25C33 26CG 96.54 25CB 25C33 26CB 86.56 25CB 23CA 92.73 25CB 25C33 24CA 70.80 25CB 26CA 67.26 25CB 25C33 161O 88.61 23C 25CA 78.15 23C 25C33 65CA 73.62 23C 25C 90.88 23C 25C33 24N 17.05 23C 24C 49.66 23C 25C33 26CG 88.11 23C 23CA 19.27 23C 25C33 66N 95.67 23C 24CA 63.32 23C 25C33 26NE1 62.90 23C 65C 83.62 23C 25C33 65N 59.43 25CA 25C 21.13 25CA 25C33 24N 61.20 25CA 24C 33.01 25CA 25C33 26CG 76.92 25CA 26CB 71.41 25CA 25C33 23CA 87.72 25CA 24CA 52.23 25CA 25C33 26CA 52.44 25CA 26NE1 85.76 65CA 25C33 24N 87.00 65CA 26CG 69.63 65CA 25C33 26CB 84.46 65CA 23CA 76.25 65CA 25C33 66N 32.22 65CA 24CA 88.00 65CA 25C33 26NE1 51.85 65CA 65C 16.56 65CA 25C33 65N 14.77 25C 24N 74.16 25C 25C33 24C 41.26 25C 26CG 60.10 25C 25C33 26CB 51.20 25C 24CA 59.94 25C 25C33 26CA 31.86 25C 26NE1 76.48 24N 25C33 24C 33.23 24N 25C33 26CG 82.78 24N 25C33 26CB 96.28 24N 25C33 23CA 32.00 24N 25C33 24CA 18.67 24N 25C33 26CA 88.81 24N 25C33 26NE1 62.87 24N 25C33 65C 93.98 24N 25C33 65N 73.77 24C 25C33 26CG 64.93 24N 25C33 26CB 70.95 24C 25C33 23CA 64.79 24N 25C33 24CA 19.55 24C 25C33 26CA 58.29 24N 25C33 26ND1 59.98 24C 25C33 65N 96.26 26CG 25C33 26CB 19.61 26CG 25C33 66N 46.12 26CG 25C33 24CA 65.68 26CG 25C33 26CA 32.66 26CG 25C33 26NE1 28.68 26CG 25C33 65C 55.83 26CG 25C33 65N 75.10 26CB 25C33 66N 55.47 26CB 25C33 24CA 77.83 26CB 25C33 26CA 19.41 26CB 25C33 26NE1 48.27 26CB 25C33 65C 68.78 26CB 25C33 65N 92.50 23CA 25C33 24CA 50.00 23CA 25C33 26NE1 79.91 23CA 25C33 65C 89.99 23CA 25C33 65N 61.53 66N 25C33 24CA 94.59 66N 25C33 26CA 74.61 66N 25C33 26NE1 44.61 66N 25C33 65C 15.82 66N 25C33 65N 45.20 24CA 25C33 26CA 70.41 24CA 25C33 26NE1 50.59 24CA 25C33 65C 89.84 24CA 25C33 65N 77.59 26CA 25C33 26NE1 57.80 26CA 25C33 65C 87.10 26NE1 25C33 65C 44.55 26NE1 25C33 65N 51.65 65C 25C33 65N 29.48 66O 25N34 66N 45.23 66O 25N34 65CA 78.78 66O 25N34 65C 62.40 66O 25N34 66C 13.36 66O 25N34 66CA 32.35 66N 25N34 65CA 34.26 66N 25N34 65C 17.63 66N 25N34 66C 35.00 66N 25N34 66CA 17.78 65CA 25N34 65C 20.48 65CA 25N34 66C 69.25 65CA 25N34 66CA 51.09 65C 25N34 66C 51.11 65C 25N34 66CA 31.81 65C 25N34 66CA 19.75

TABLE XIX Table of angles between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor 1-N-(N- imidazole acetyl-leucinyl)-amino-3-N-(4-phenoxy-phenyl- sulfonyl)-amino-propan-2-one. Atom 1 Atom 2 Atom 3 Angle Atom 1 Atom 2 Atom 3 Angle 20O 25C1 20C 8.55 20O 25C1 21CA 35.54 20O 25C1 20N 33.52 20O 25C1 21N 19.74 20O 25C1 21NE2 53.30 20O 25C1 19CB 70.43 20O 25C1 19CD 89.13 20O 25C1 20CA 16.45 20O 25C1 19CG 72.65 20C 25C1 21CA 32.39 20C 25C1 20N 30.42 20C 25C1 21N 14.60 20C 25C1 21NE2 58.84 20C 25C1 19CB 64.58 20C 25C1 19CD 81.24 20C 25C1 20CA 14.64 20C 25C1 19CG 65.09 184NE1 25C1 184CD1 18.88 184NE1 25C1 20N 99.03 184NE1 25C1 19CB 64.29 184NE1 25C1 19CD 56.93 184NE1 25C1 184CE2 13.44 184NE1 25C1 19CG 68.65 184CD1 25C1 20N 85.82 184CD1 25C1 19CB 57.54 184CD1 25C1 19CD 61.12 184CD1 25C1 184CE2 26.51 184CD1 25C1 19CG 67.61 21CA 25C1 20N 60.42 21CA 25C1 21N 18.12 21CA 25C1 21NE2 47.16 21CA 25C1 19CB 84.18 21CA 25C1 19CD 86.47 21CA 25C1 20CA 46.79 21CA 25C1 19CG 75.79 20N 25C1 21N 42.62 20N 25C1 21NE2 86.39 20N 25C1 19CB 39.01 20N 25C1 19CD 64.17 20N 25C1 20CA 17.07 20N 25C1 19CG 47.30 21N 25C1 21NE2 54.26 21N 25C1 19CB 71.03 21N 25C1 19CD 81.02 21N 25C1 20CA 28.72 21N 25C1 19CG 66.90 21NE2 25C1 20CA 69.50 19CB 25C1 19CD 29.32 19CB 25C1 20CA 54.83 19CB 25C1 184CE2 77.66 19CB 25C1 19CG 17.68 19CD 25C1 20CA 76.69 19CD 25C1 184CE2 69.09 19CD 25C1 19CG 17.08 20CA 25C1 19CG 59.66 184CE2 25C1 19CG 81.78 20O 25C2 21NE2 59.99 20O 25C2 20C 2.48 20O 25C2 184NE1 99.98 20O 25C2 184CD1 92.85 21NE2 25C2 241OH2 86.01 21NE2 25C2 20C 59.23 20C 25C2 184CD1 93.86 184NE1 25C2 184CD1 16.12 241OH2 25C3 21NE2 97.71 20O 25C3 21NE2 54.27 20O 25C3 184CD1 87.74 20O 25C3 20C 3.17 21NE2 25C3 20C 54.18 184CD1 25C3 20C 88.87 241OH2 25C4 184O 97.32 20O 25C4 18OD1 66.74 20O 25C4 184CD1 99.13 20O 25C4 18CG 78.46 20O 25C4 18ND2 91.26 20O 25C4 20C 7.41 20O 25C4 184NE1 94.68 20O 25C4 20N 34.24 18OD1 25C4 184CD1 86.06 18OD1 25C4 184CG 91.60 18OD1 25C4 184O 62.83 18OD1 25C4 184CB 82.77 18OD1 25C4 184CA 64.10 18OD1 25C4 18CG 12.46 18OD1 25C4 18ND2 28.21 18OD1 25C4 20C 59.47 18OD1 25C4 184NE1 97.79 18OD1 25C4 20N 35.84 180D1 25C4 184C 57.15 184CD1 25C4 184CG 17.48 184CD1 25C4 184O 65.93 184CD1 25C4 184CB 33.13 184CD1 25C4 184CA 37.60 184CD1 25C4 18CG 88.07 184CD1 25C4 18ND2 95.74 184CD1 25C4 20C 99.37 184CD1 25C4 184NE1 15.35 184CD1 25C4 20N 82.14 184CD1 25C4 184C 55.11 184CG 25C4 184O 54.64 184CG 25C4 184CB 18.72 184CG 25C4 184CA 31.21 184CG 25C4 18CG 89.91 184CG 25C4 18ND2 92.98 184CG 25C4 184NE1 27.12 184CG 25C4 20N 96.33 184CG 25C4 184C 46.92 184O 25C4 184CB 36.11 184O 25C4 184CA 29.52 184O 25C4 18CG 52.77 184O 25C4 18ND2 45.59 184O 25C4 184NE1 80.28 184O 25C4 20N 93.80 184O 25C4 184C 13.81 184CB 25C4 184CA 18.71 184CB 25C4 18CG 77.83 184CB 25C4 18ND2 77.39 184CB 25C4 184NE1 45.48 184CB 25C4 20N 98.33 184CB 25C4 184C 30.19 184CA 25C4 18CG 59.86 184CA 25C4 18ND2 61.77 184CA 25C4 184NE1 52.74 184CA 25C4 20N 81.89 184CA 25C4 184C 17.52 18CG 25C4 18ND2 16.14 18CG 25C4 20C 71.10 18CG 25C4 20N 48.30 18CG 25C4 184C 49.48 18ND2 25C4 20C 83.86 18ND2 25C4 20N 63.67 18ND2 25C4 184C 47.21 20C 25C4 184NE1 96.84 20C 25C4 20N 28.14 184NE1 25C4 20N 86.08 184NE1 25C4 184C 70.17 20N 25C4 184C 83.78 20O 25C5 18OD1 80.82 20O 25C5 20N 45.03 20O 25C5 20C 11.42 20O 25C5 18CG 91.75 20O 25C5 19CB 74.81 20O 25C5 20CA 30.47 20O 25C5 19N 82.23 20O 25C5 19C 51.72 20O 25C5 19CA 69.30 18OD1 25C5 20N 46.49 18OD1 25C5 184CA 77.31 18OD1 25C5 20C 70.82 18OD1 25C5 18CG 11.80 18OD1 25C5 184CB 96.95 18OD1 25C5 19CB 72.36 18OD1 25C5 183O 66.28 18OD1 25C5 184O 67.87 18OD1 25C5 20CA 51.82 18OD1 25C5 19N 42.94 18OD1 25C5 184C 64.99 18OD1 25C5 18ND2 27.18 18OD1 25C5 19C 53.47 18OD1 25C5 19CA 55.00 184CD1 25C5 184CG 18.87 184CD1 25C5 184NE1 17.79 184CD1 25C5 184CA 44.65 184CD1 25C5 184CB 36.67 184CD1 25C5 19CB 67.07 184CD1 25C5 183O 47.98 184CD1 25C5 184O 72.91 184CD1 25C5 19N 80.31 184CD1 25C5 184C 63.25 184CD1 25C5 19C 98.13 184CD1 25C5 19CA 81.55 184CD1 25C5 184CD2 22.19 20N 25C5 20C 33.70 20N 25C5 18CG 58.10 20N 25C5 19CB 44.66 20N 25C5 183O 72.78 20N 25C5 20CA 18.20 20N 25C5 19N 38.00 20N 25C5 18ND2 73.36 20N 25C5 19C 13.46 20N 25C5 19CA 30.03 184CG 25C5 184NE1 31.64 184CG 25C5 184CA 35.78 184CG 25C5 184CB 20.39 184CG 25C5 19CB 83.44 184CG 25C5 183O 54.59 184CG 25C5 184O 58.05 184CG 25C5 19N 89.86 184CG 25C5 184C 51.94 184CG 25C5 19CA 95.52 184CG 25C5 184CD2 13.48 184NE1 25C5 184CA 62.33 184NE1 25C5 184CB 51.80 184NE1 25C5 19CB 68.57 184NE1 25C5 183O 61.84 184NE1 25C5 184O 89.24 184NE1 25C5 19N 89.54 184NE1 25C5 184C 80.74 184NE1 25C5 19C 99.19 184NE1 25C5 19CA 85.71 184NE1 25C5 184CD2 26.19 184CA 25C5 18CG 69.03 184CA 25C5 184CB 20.92 184CA 25C5 19CB 77.96 184CA 25C5 183O 36.00 184CA 25C5 184O 31.59 184CA 25C5 19N 66.93 184CA 25C5 184C 18.86 184CA 25C5 18ND2 67.71 184CA 25C5 19C 97.51 184CA 25C5 19CA 80.33 184CA 25C5 184CD2 49.00 20C 25C5 18CG 82.15 20C 25C5 19CB 67.05 20C 25C5 20CA 19.43 20C 25C5 19N 71.23 20C 25C5 18ND2 92.73 20C 25C5 19C 41.28 20C 25C5 19CA 59.31 18CG 25C5 184CB 87.50 18CG 25C5 19CB 79.43 18CG 25C5 183O 64.87 18CG 25C5 184O 56.38 18CG 25C5 20CA 63.40 18CG 25C5 19N 48.70 18CG 25C5 184C 54.85 18CG 25C5 18ND2 16.71 18CG 25C5 19C 64.20 18CG 25C5 19CA 63.20 184CB 25C5 19CB 90.65 184CB 25C5 183O 52.34 184CB 25C5 184O 37.66 184CB 25C5 19N 86.29 184CB 25C5 184C 32.87 184CB 25C5 18ND2 82.52 184CB 25C5 19CA 97.44 184CB 25C5 241OH2 93.49 184CB 25C5 184CD2 31.41 19CB 25C5 183O 42.37 19CB 25C5 20CA 60.88 19CB 25C5 19N 30.92 19CB 25C5 184C 88.12 19CB 25C5 18ND2 95.45 19CB 25C5 19C 31.26 19CB 25C5 19CA 18.10 19CB 25C5 184CD2 89.12 183O 25C5 184O 61.91 183O 25C5 20CA 90.84 183O 25C5 19N 35.42 183O 25C5 184C 46.49 183O 25C5 18ND2 74.22 183O 25C5 19C 63.18 183O 25C5 19CA 45.18 183O 25C5 184CD2 66.30 184O 25C5 19N 81.26 184O 25C5 184C 15.43 184O 25C5 18ND2 46.67 184O 25C5 19CA 98.50 184O 25C5 241OH2 80.65 184O 25C5 184CD2 68.07 20CA 25C5 19N 55.69 20CA 25C5 18ND2 75.55 20CA 25C5 19C 30.17 20CA 25C5 19CA 47.94 19N 25C5 184C 68.55 19N 25C5 18ND2 64.53 19N 25C5 19C 31.12 19N 25C5 19CA 17.72 184C 25C5 18ND2 50.25 184C 25C5 19C 99.32 184C 25C5 19CA 85.02 184C 25C5 241OH2 95.85 184C 25C5 184CD2 64.13 18ND2 25C5 19C 80.57 18ND2 25C5 19CA 79.75 18ND2 25C5 241OH2 86.00 19C 25C5 19CA 18.28 241OH2 25C5 184CD2 93.94 20O 25C6 20C 12.91 20O 25C6 20N 48.34 20O 25C6 19CB 91.47 20O 25C6 18OD1 72.52 20O 25C6 19CG 86.64 20O 25C6 20CA 29.66 20O 25C6 19C 58.59 20O 25C6 19CA 78.30 20O 25C6 19N 85.64 20O 25C6 21N 15.81 20O 25C6 19NE2 96.10 184CD1 25C6 184NE1 21.76 184CD1 25C6 19CB 75.50 184CD1 25C6 18OD1 95.54 184CD1 25C6 19CG 83.68 184CD1 25C6 184CG 14.32 184CD1 25C6 19CD 72.31 184CD1 25C6 19CA 87.17 184CD1 25C6 19OE1 56.50 184CD1 25C6 19N 79.17 184CD1 25C6 184CE2 25.40 184CD1 25C6 183O 45.26 184CD1 25C6 184CA 35.59 184CD1 25C6 184CB 27.68 184CD1 25C6 19NE2 80.74 184NE1 25C6 19CB 80.25 184NE1 25C6 19CG 80.79 184NE1 25C6 184CG 30.82 184NE1 25C6 19CD 64.39 184NE1 25C6 19CA 96.31 184NE1 25C6 19OE1 49.89 184NE1 25C6 19N 93.83 184NE1 25C6 184CE2 11.71 184NE1 25C6 183O 62.24 184NE1 25C6 184CA 57.31 184NE1 25C6 184CB 47.06 184NE1 25C6 19NE2 68.19 20C 25C6 20N 37.04 20C 25C6 19CB 78.57 20C 25C6 18OD1 67.96 20C 25C6 19CG 74.74 20C 25C6 20CA 19.73 20C 25C6 19C 45.89 20C 25C6 19CD 90.64 20C 25C6 19CA 65.64 20C 25C6 19N 74.27 20C 25C6 21N 11.50 20C 25C6 19NE2 87.59 20N 25C6 19CB 50.10 20N 25C6 18OD1 42.87 20N 25C6 19CG 57.53 20N 25C6 20CA 19.02 20N 25C6 19C 16.56 20N 25C6 19CD 76.93 20N 25C6 19CA 32.67 20N 25C6 19OE1 86.01 20N 25C6 19N 37.35 20N 25C6 183O 71.42 20N 25C6 21N 45.38 20N 25C6 184CA 93.41 20N 25C6 19NE2 82.82 19CB 25C6 18OD1 71.17 19CB 25C6 19CG 20.52 19CB 25C6 184CG 87.09 19CB 25C6 20CA 67.16 19CB 25C6 19C 34.76 19CB 25C6 19CD 33.99 19CB 25C6 19CA 18.63 19CB 25C6 19OE1 37.17 19CB 25C6 19N 30.79 19CB 25C6 184CE2 91.78 19CB 25C6 183O 42.56 19CB 25C6 21N 80.11 19CB 25C6 184CA 74.81 19CB 25C6 184CB 88.09 19CB 25C6 19NE2 46.70 18OD1 25C6 19CG 88.69 18OD1 25C6 184CG 91.56 18OD1 25C6 20CA 49.91 18OD1 25C6 19C 53.85 18OD1 25C6 19CA 54.76 18OD1 25C6 19N 40.79 18OD1 25C6 183O 58.55 18OD1 25C6 21N 79.33 18OD1 25C6 184CA 61.28 18OD1 25C6 184CB 76.32 19CG 25C6 184CG 97.34 19CG 25C6 20CA 70.01 19CG 25C6 19C 41.04 19CG 25C6 19CD 19.41 19CG 25C6 19CA 33.94 19CG 25C6 19OE1 31.04 19CG 25C6 19N 50.11 19CG 25C6 184CE2 92.31 19CG 25C6 183O 60.89 19CG 25C6 21N 72.24 19CG 25C6 184CA 92.44 19CG 25C6 19NE2 28.22 184CG 25C6 19CD 86.63 184CG 25C6 19CA 96.09 184CG 25C6 19OE1 70.82 184CG 25C6 19N 84.76 184CG 25C6 184CE2 28.58 184CG 25C6 183O 51.08 184CG 25C6 184CA 30.50 184CG 25C6 184CB 16.46 184CG 25C6 19NE2 94.82 20CA 25C6 19C 32.41 20CA 25C6 19CD 88.73 20CA 25C6 19CA 50.99 20CA 25C6 19N 56.06 20CA 25C6 183O 89.93 20CA 25C6 21N 30.16 20CA 25C6 19NE2 90.65 19C 25C6 19CD 60.43 19C 25C6 19CA 19.75 19C 25C6 19OE1 69.63 19C 25C6 19N 32.09 19C 25C6 183O 64.40 19C 25C6 21N 50.78 19C 25C6 184CA 92.13 19C 25C6 19NE2 67.14 19CD 25C6 19CA 51.19 19CD 25C6 19OE1 15.82 19CD 25C6 19N 64.65 19CD 25C6 184CE2 75.35 19CD 25C6 183O 64.06 19CD 25C6 21N 85.72 19CD 25C6 184CA 91.40 19CD 25C6 184CB 96.57 19CD 25C6 19NE2 14.56 19CA 25C6 19OE1 55.80 19CA 25C6 19N 18.35 19CA 25C6 183O 45.71 19CA 25C6 21N 70.13 19CA 25C6 184CA 75.80 19CA 25C6 184CB 92.14 19CA 25C6 19NE2 62.13 19OE1 25C6 19N 64.68 19OE1 25C6 184CE2 61.31 19OE1 25C6 183O 54.29 19OE1 25C6 184CA 77.83 19OE1 25C6 184CB 81.20 19OE1 25C6 19NE2 26.71 19N 25C6 183O 34.10 19N 25C6 21N 81.52 19N 25C6 184CA 60.05 19N 25C6 184CB 77.37 19N 25C6 19NE2 77.44 184CE2 25C6 183O 69.91 184CE2 25C6 184CA 58.41 184CE2 25C6 184CB 44.79 184CE2 25C6 19NE2 77.70 183O 25C6 184CA 32.25 183O 25C6 184CB 46.82 183O 25C6 19NE2 78.49 21N 25C6 19NE2 80.31 184CA 25C6 184CB 17.72 20O 25O7 21CA 42.87 20O 25O7 20C 13.38 20O 25O7 21C 58.81 20O 25O7 19CD 93.04 20O 25O7 21O 73.65 20O 25O7 22O 77.10 20O 25O7 21N 27.93 20O 25O7 19CG 74.84 20O 25O7 19OE1 98.59 20O 25O7 184CD1 93.22 20O 25O7 19CB 66.24 21CA 25O7 20C 34.50 21CA 25O7 19NE2 96.98 21CA 25O7 21C 20.45 21CA 25O7 19CD 99.50 21CA 25O7 21O 32.06 21CA 25O7 22O 59.78 21CA 25O7 21N 18.66 21CA 25O7 19CG 84.02 21CA 25O7 19CB 87.69 20C 25O7 19NE2 92.76 20C 25O7 21C 47.32 20C 25O7 19CD 85.47 20C 25O7 21O 62.79 20C 25O7 22O 64.15 20C 25O7 21N 16.77 20C 25O7 19CG 67.03 20C 25O7 19OE1 93.62 20C 25O7 184CD1 98.91 20C 25O7 19CB 62.11 19NE2 25O7 21C 79.95 19NE2 25O7 19CD 17.34 19NE2 25O7 184NE1 69.42 19NE2 25O7 21O 80.15 19NE2 25O7 22O 37.30 19NE2 25O7 21N 90.94 19NE2 25O7 19CG 30.25 19NE2 25O7 19OE1 27.55 19NE2 25O7 184CD1 74.17 19NE2 25O7 19CB 45.70 21C 25O7 19CD 86.46 21C 25O7 21O 15.78 21C 25O7 22O 43.07 21C 25O7 21N 30.95 21C 25O7 19CG 74.61 21C 25O7 19CB 83.86 19CD 25O7 184NE1 58.81 19CD 25O7 21O 90.75 19CD 25O7 22O 44.18 19CD 25O7 21N 88.47 19CD 25O7 19CG 18.45 19CD 25O7 19OE1 14.37 19CD 25O7 184CD1 60.00 19CD 25O7 19CB 29.83 184NE1 25O7 19CG 69.06 184NE1 25O7 19OE1 44.47 184NE1 25O7 184CD1 15.81 184NE1 25O7 19CB 60.87 21O 25O7 22O 46.84 21O 25O7 21N 46.16 21O 25O7 19CG 82.83 21O 25O7 19CB 95.13 22O 25O7 21N 56.64 22O 25O7 19CG 37.32 22O 25O7 19OE1 58.55 22O 25O7 19CB 52.98 21N 25O7 19CG 70.99 21N 25O7 19OE1 99.59 21N 25O7 19CB 71.16 19CG 25O7 19OE1 28.77 19CG 25O7 184CD1 65.14 19CG 25O7 19CB 17.77 19OE1 25O7 184CD1 46.81 19OE1 25O7 19CB 32.36 184CD1 25O7 19CB 52.79 19NE2 25C8 184NE1 74.20 19NE2 25C8 19CD 17.18 19NE2 25C8 20O 86.21 19NE2 25C8 19OE1 28.35 19NE2 25C8 22O 35.57 19NE2 25C8 21O 77.21 19NE2 25C8 184CE2 85.22 184NE1 25C8 19CD 60.55 184NE1 25C8 20O 90.70 184NE1 25C8 19OE1 46.23 184NE1 25C8 184CE2 14.61 19CD 25C8 20O 76.90 19CD 25C8 19OE1 15.08 19CD 25C8 22O 42.30 19CD 25C8 21O 84.98 19CD 25C8 184CE2 73.32 20O 25C8 19OE1 83.60 20O 25C8 22O 62.93 20O 25C8 21O 59.11 19OE1 25C8 22O 57.39 190E1 25C8 184CE2 58.44 22O 25C8 21O 42.86 184NE1 25C9 19CD 81.47 184NE1 25C9 19OE1 63.24 184NE1 25C9 184CE2 17.78 184NE1 25C9 184CD1 15.24 184NE1 25C9 184CZ2 36.54 184NE1 25C9 19CG 84.02 184NE1 25C9 162NE2 48.91 184NE1 25C9 162CD2 64.08 184NE1 25C9 19CB 68.93 19NE2 25C9 19CD 22.29 19NE2 25C9 19OE1 38.48 19NE2 25C9 184CD1 96.98 19NE2 25C9 19CG 31.33 19NE2 25C9 162NE2 73.61 19NE2 25C9 22O 33.83 19NE2 25C9 162CD2 72.04 19NE2 25C9 19CB 48.00 19CD 25C9 19OE1 20.30 19CD 25C9 184CE2 96.87 19CD 25C9 184CD1 75.05 19CD 25C9 19CG 16.69 19CD 25C9 162NE2 65.70 19CD 25C9 22O 43.91 19CD 25C9 162CD2 70.64 19CD 25C9 19CB 28.29 19OE1 25C9 184CE2 77.36 19OE1 25C9 184CD1 59.86 19OE1 25C9 184CZ2 88.34 19OE1 25C9 19CG 32.36 19OE1 25C9 162NE2 47.50 19OE1 25C9 22O 64.20 19OE1 25C9 162CD2 55.96 19OE1 25C9 19CB 33.06 184CE2 25C9 184CD1 31.58 184CE2 25C9 184CZ2 19.41 184CE2 25C9 162NE2 49.67 184CE2 25C9 162CD2 61.51 184CE2 25C9 19CB 86.67 184CD1 25C9 184CZ2 50.94 184CD1 25C9 19CG 73.85 184CD1 25C9 162NE2 59.35 184CD1 25C9 162CD2 75.48 184CD1 25C9 19CB 57.22 184CZ2 25C9 162NE2 48.81 184CZ2 25C9 162CD2 55.09 19CG 25C9 162NE2 79.83 19CG 25C9 22O 36.66 19CG 25C9 162CD2 86.65 19CG 25C9 19CB 17.77 162NE2 25C9 162CD2 16.38 162NE2 25C9 19CB 77.35 22O 25C9 19CB 51.74 162CD2 25C9 19CB 88.41 184NE1 25C10 184CZ2 41.93 184NE1 25C10 19NE2 89.55 184NE1 25C10 184CE2 20.67 184NE1 25C10 162CD2 76.32 184NE1 25C10 19OE1 57.76 184NE1 25C10 162NE2 56.54 184NE1 25C10 19CD 70.87 184NE1 25C10 184CD1 8.43 184NE1 25C10 162CG 77.88 184NE1 25C10 184CH2 49.27 184NE1 25C10 162CE1 51.80 184CZ2 25C10 184CE2 21.41 184CZ2 2SC10 162CD2 68.85 184CZ2 25C10 19OE1 92.45 184CZ2 25C10 162NE2 58.15 184CZ2 25C10 184CD1 50.03 184CZ2 25C10 162CG 61.13 184CZ2 25C10 184CH2 7.67 184CZ2 25C10 162CE1 46.19 19NE2 25C10 162CD2 81.68 19NE2 25C10 19OE1 34.40 19NE2 25C10 162NE2 79.07 19NE2 25C10 19CD 18.69 19NE2 25C10 184CD1 83.31 19NE2 25C10 162CG 94.78 19NE2 25C10 162CE1 90.70 184CE2 25C10 162CD2 73.19 184CE2 25C10 19OE1 75.46 184CE2 25C10 162NE2 56.50 184CE2 25C10 19CD 90.32 184CE2 25C10 184CD1 28.64 184CE2 25C10 162CG 70.03 184CE2 25C10 184CH2 28.62 184CE2 25C10 162CE1 47.27 162CD2 25C10 19OE1 63.96 162CD2 25C10 162NE2 20.18 162CD2 25C10 19CD 77.09 162CD2 25C10 184CD1 81.08 162CD2 25C10 162CG 13.20 162CD2 25C10 184CH2 71.00 162CD2 25C10 162CE1 25.99 19OE1 25C10 162NE2 52.28 19OE1 25C10 19CD 17.69 19OE1 25C10 184CD1 53.34 19OE1 25C10 162CG 76.09 19OE1 25C10 184CH2 99.88 19OE1 25C10 162CE1 61.59 162NE2 2SC10 19CD 68.59 162NE2 25C10 184CD1 60.95 162NE2 2SC10 162CG 26.84 162NE2 25C10 184CH2 62.65 162NE2 25C10 162CE1 12.34 19CD 25C10 184CD1 64.80 19CD 25C10 162CG 90.03 19CD 25C10 162CE1 78.73 184CD1 25C10 162CG 84.10 184CD1 25C10 184CH2 57.23 184CD1 25C10 162CE1 57.81 162CG 25C10 184CH2 61.82 162CG 25C10 162CE1 26.29 184CH2 25C10 162CE1 50.38 184CZ2 25C11 184NE1 33.44 184CZ2 25C11 162CD2 58.33 184CZ2 25C11 184CE2 16.76 184CZ2 25C11 19NE2 94.98 184CZ2 25C11 162NE2 47.17 184NE1 25C11 162CD2 59.46 184NE1 25C11 184CE2 17.00 184NE1 2SC11 19NE2 65.09 184NE1 25C11 162NE2 43.40 162CD2 25C11 184CE2 59.69 162CD2 25C11 19NE2 64.20 162CD2 25C11 162NE2 16.09 184CE2 25C11 19NE2 81.10 184CE2 2SC11 162NE2 45.09 19NE2 25C11 162NE2 60.40 162CD2 25S14 184CZ2 63.39 162CD2 25S14 162CG 18.68 162CD2 25S14 162CB 36.19 162CD2 25S14 161O 65.32 162CD2 25S14 162NE2 15.75 162CD2 25S14 161OD1 86.18 162CD2 25S14 184CH2 70.43 184CZ2 25S14 162CG 63.65 184CZ2 25S14 162CB 78.78 184CZ2 25S14 162NE2 49.18 184CZ2 25S14 184CH2 14.76 162CG 25S14 162CB 20.04 162CG 25S14 161O 60.62 162CG 25S14 162NE2 28.04 162CG 25S14 161OD1 69.44 162CG 25S14 184CH2 65.75 162CB 25S14 161O 46.23 162CB 25S14 162NE2 47.97 162CB 25S14 161OD1 50.06 162CB 25S14 184CH2 76.80 161O 25S14 162NE2 81.07 161O 25S14 161OD1 48.28 162NE2 25S14 161OD1 97.37 162NE2 25S14 184CH2 58.34 161OD1 25S14 184CH2 95.88 184CZ2 25O15 184CH2 22.20 184CZ2 25O15 162CG 77.78 184CZ2 25O15 162CD2 73.98 184CZ2 25O15 137O 88.43 184CZ2 25O15 162CB 96.58 184CZ2 25O15 184CE2 11.44 184CZ2 25O15 137CB 79.42 184CZ2 25O15 162ND1 62.04 184CZ2 25O15 162NE2 56.17 184CZ2 25O15 162CE1 49.68 184CZ2 25O15 137C 97.15 184CZ2 25O15 184NE1 27.38 184CZ2 25O15 184CZ3 22.14 184CH2 25O15 162CG 83.63 184CH2 25O15 162CD2 86.91 184CH2 25O15 137O 66.28 184CH2 25O15 162CB 97.10 184CH2 25O15 184CE2 33.64 184CH2 25O15 137CB 63.34 184CH2 25O15 162ND1 65.67 184CH2 25O15 162NE2 70.78 184CH2 25O15 162CE1 59.07 184CH2 25O15 137C 75.65 184CH2 25O15 184NE1 49.58 184CH2 25O15 184CZ3 0.44 162CG 25O15 162CD2 20.14 162CG 25O15 137O 98.89 162CG 25O15 162CB 21.58 162CG 25O15 184CE2 75.94 162CG 25O15 137CB 60.62 162CG 25O15 162ND1 18.08 162CG 25O15 162NE2 30.14 162CG 25O15 161OD1 74.08 162CG 25O15 162CE1 28.30 162CG 25O15 137C 90.40 162CG 25O15 184NE1 73.88 162CG 25O15 184CZ3 84.03 162CD2 25O15 162CB 38.15 162CD2 25O15 184CE2 68.37 162CD2 25O15 137CB 79.85 162CD2 25O15 162ND1 30.08 162CD2 25O15 162NE2 17.97 162CD2 25O15 161OD1 89.07 162CD2 25O15 162CE1 28.23 162CD2 25O15 184NE1 61.40 162CD2 25O15 184CZ3 87.22 137O 25O15 162CB 88.99 137O 25O15 184CE2 99.87 137O 25O15 137CB 38.31 137O 25O15 162ND1 89.22 137O 25O15 161OD1 64.44 137O 25O15 162CE1 99.08 137O 25O15 137C 13.71 137O 25O15 184CZ3 66.38 162CB 25O15 184CE2 96.47 162CB 25O15 137CB 53.88 162CB 25O15 162ND1 34.56 162CB 25O15 162NE2 51.49 162CB 25O15 161OD1 52.55 162CB 25O15 162CE1 48.77 162CB 25O15 137C 77.54 162CB 25O15 184NE1 95.45 162CB 25O15 184CZ3 97.53 184CE2 25O15 137CB 88.43 184CE2 25O15 162ND1 62.44 184CE2 25O15 162NE2 50.44 184CE2 25O15 162CE1 47.79 184CE2 25O15 184NE1 15.94 184CE2 25O15 184CZ3 33.57 137CB 25O15 162ND1 52.03 137CB 25O15 162NE2 80.03 137CB 25O15 161OD1 58.03 137CB 25O15 162CE1 64.80 137CB 25O15 137C 32.11 137CB 25O15 184CZ3 63.70 162ND1 25O15 162NE2 28.43 162ND1 25O15 161OD1 83.20 162ND1 25O15 162CE1 16.55 162ND1 25O15 137C 84.06 162ND1 25O15 184NE1 64.50 162ND1 25O15 184CZ3 66.08 162NE2 25O15 162CE1 16.59 162NE2 25O15 184NE1 44.67 162NE2 25O15 184CZ3 71.04 161OD1 25O15 162CE1 99.43 161OD1 25O15 137C 51.29 162CE1 25O15 137C 96.68 162CE1 25O15 184NE1 48.13 162CE1 25O15 184CZ3 59.41 137C 25O15 184CZ3 75.83 184NE1 25O15 184CZ3 49.51 161OD1 25O16 161O 49.89 161OD1 25O16 161CG 14.03 161O 25O16 161CG 47.85 162CD2 25N17 162CG 24.82 162CD2 25N17 161O 98.82 162CD2 25N17 162CB 49.71 162CD2 25N17 162CA 57.32 162CD2 25N17 162NE2 15.00 162CD2 25N17 161C 92.83 162CD2 25N17 25SG 58.11 162CD2 25N17 162N 75.97 162CD2 25N17 162ND1 25.66 162CD2 25N17 162CE1 19.01 162CD2 25N17 184CZ2 61.54 162CD2 25N17 25CB 41.82 162CG 25N17 161O 86.86 162CG 25N17 162CB 26.56 162CG 25N17 162CA 42.37 162CG 25N17 162NE2 34.27 162CG 25N17 161C 76.28 162CG 25N17 25SG 73.91 162CG 25N17 162N 58.18 162CG 25N17 162ND1 11.86 162CG 25N17 161OD1 80.11 162CG 25N17 162CE1 24.71 162CG 25N17 184CZ2 63.21 162CG 25N17 25CB 63.12 161O 25N17 162CB 64.87 161O 25N17 162CA 44.51 161O 25N17 161C 15.53 161O 25N17 25SG 72.13 161O 25N17 162N 31.00 161O 25N17 162ND1 97.99 161O 25N17 161OD1 55.13 161O 25N17 25CB 90.74 162CB 25N17 162CA 24.47 162CB 25N17 162NE2 60.78 162CB 25N17 161C 51.89 162CB 25N17 25SG 82.14 162CB 25N17 162N 34.09 162CB 25N17 162ND1 34.92 162CB 25N17 161OD1 55.89 162CB 25N17 162CE1 50.58 162CB 25N17 184CZ2 81.16 162CB 25N17 25CB 79.93 162CA 25N17 162NE2 71.74 162CA 25N17 161C 35.58 162CA 25N17 25SG 65.34 162CA 25N17 162N 19.04 162CA 25N17 162ND1 53.71 162CA 25N17 161OD1 60.49 162CA 25N17 162CE1 66.39 162CA 25N17 25CB 71.10 162NE2 25N17 25SG 65.94 162NE2 25N17 162N 89.98 162NE2 25N17 162ND1 29.38 162NE2 25N17 162CE1 14.46 162NE2 25N17 184CZ2 48.97 162NE2 25N17 25CB 46.17 161C 25N17 25SG 80.41 161C 25N17 162N 18.12 161C 25N17 162ND1 86.43 161C 25N17 161OD1 42.82 161C 25N17 25CB 95.81 25SG 25N17 162N 77.28 25SG 25N17 162ND1 81.39 25SG 25N17 162CE1 76.71 25SG 25N17 25CB 21.56 162N 25N17 162ND1 68.34 162N 25N17 161OD1 45.06 162N 25N17 162CE1 82.88 162N 25N17 25CB 87.52 162ND1 25N17 161OD1 83.28 162ND1 25N17 162CE1 16.35 162ND1 25N17 184CZ2 51.35 162ND1 25N17 25CB 67.28 161OD1 25N17 162CE1 99.02 161OD1 25N17 184CZ2 99.72 162CE1 25N17 184CZ2 43.80 162CE1 25N17 25CB 58.69 184CZ2 25N17 25CB 91.04 161O 25C18 25SG 88.17 161O 25C18 162CD2 89.98 161O 25C18 162CA 40.67 161O 25C18 161C 9.73 161O 25C18 162CG 74.76 161O 25C18 162CB 55.30 161O 25C18 162N 24.42 25SG 25C18 162CD2 63.21 25SG 25C18 162CA 69.19 25SG 25C18 161C 89.73 25SG 25C18 162CG 72.88 25SG 25C18 162CB 81.01 25SG 25C18 25CB 22.17 25SG 25C18 19NE2 60.90 25SG 25C18 162NE2 64.84 25SG 25C18 162N 81.28 162CD2 25C18 162CA 49.41 162CD2 25C18 161C 82.11 162CD2 25C18 162CG 17.90 162CD2 25C18 162CB 38.19 162CD2 25C18 25CB 48.19 162CD2 25C18 19NE2 74.06 162CD2 25C18 162NE2 11.85 162CD2 25C18 162N 65.91 162CA 25C18 161C 33.66 162CA 25C18 162CG 35.77 162CA 25C18 162CB 21.19 162CA 25C18 25CB 73.11 162CA 25C18 162NE2 61.26 162CA 25C18 162N 17.67 161C 25C18 162CG 66.10 161C 25C18 162CB 46.17 161C 25C18 162NE2 93.83 161C 25C18 162N 16.25 162CG 25C18 162CB 20.62 162CG 25C18 25CB 62.56 162CG 25C18 19NE2 91.91 162CG 25C18 162NE2 28.46 162CG 25C18 162N 50.34 162CB 25C18 25CB 77.17 162CB 25C18 162NE2 49.07 162CB 25C18 162N 31.21 25CB 25C18 19NE2 46.45 25CB 25C18 162NE2 46.22 25CB 25C18 162N 89.13 19NE2 25C18 162NE2 63.90 162NE2 25C18 162N 77.68 25SG 25C19 25CB 31.14 25SG 25C19 162CD2 72.89 25SG 25C19 161O 97.36 25SG 25C19 19NE2 87.55 25SG 25C19 25N 42.09 25SG 25C19 25CA 29.35 25SG 25C19 23CA 99.22 25SG 25C19 162CA 71.95 25SG 25C19 23O 76.04 25SG 25C19 23C 80.42 25SG 25C19 162CG 75.66 25SG 25C19 162NE2 71.54 25SG 25C19 19CD 78.54 25SG 25C19 19OE1 73.25 25SG 25C19 161C 92.06 25SG 25C19 162CB 81.06 25CB 25C19 162CD2 57.89 25CB 25C19 19NE2 60.82 25CB 25C19 25N 33.86 25CB 25C19 25CA 15.34 25CB 25C19 23CA 90.78 25CB 25C19 162CA 81.46 25CB 25C19 23O 81.85 25CB 25C19 23C 77.61 25CB 25C19 162CG 67.35 25CB 25C19 162NE2 50.15 25CB 25C19 19CD 49.61 25CB 25C19 19OE1 42.26 25CB 25C19 162CB 81.00 162CD2 25C19 161O 78.28 162CD2 25C19 19NE2 84.27 162CD2 25C19 25N 90.80 162CD2 25C19 25CA 73.23 162CD2 25C19 162CA 45.80 162CD2 25C19 162CG 13.99 162CD2 25C19 162NE2 13.84 162CD2 25C19 19CD 72.50 162CD2 25C19 19OE1 57.48 162CD2 25C19 161C 71.45 162CD2 25C19 162CB 32.02 161O 25C19 162CA 36.90 161O 25C19 162CG 64.31 161O 25C19 162NE2 92.09 161O 25C19 161C 7.56 161O 25C19 162CB 46.27 19NE2 25C19 25N 50.87 19NE2 25C19 25CA 58.20 19NE2 25C19 23CA 48.05 19NE2 25C19 23O 68.25 19NE2 25C19 23C 52.78 19NE2 25C19 162CG 98.10 19NE2 25C19 162NE2 70.55 19NE2 25C19 19CD 13.21 19NE2 25C19 19OE1 27.94 25N 25C19 25CA 19.24 25N 25C19 23CA 59.89 25N 25C19 23O 48.33 25N 25C19 23C 44.21 25N 25C19 162NE2 80.81 25N 25C19 19CD 47.37 25N 25C19 19OE1 51.79 25CA 25C19 23CA 78.48 25CA 25C19 162CA 93.16 25CA 25C19 23O 66.60 25CA 25C19 23C 63.45 25CA 25C19 162CG 82.49 25CA 25C19 162NE2 65.00 25CA 25C19 19CD 49.86 25CA 25C19 19OE1 47.62 25CA 25C19 162CB 95.23 23CA 25C19 23O 31.44 23CA 25C19 23C 19.68 23CA 25C19 19CD 59.89 23CA 25C19 19OE1 75.03 162CA 25C19 162CG 32.75 162CA 25C19 162NE2 59.16 162CA 25C19 161C 29.34 162CA 25C19 162CB 18.30 23O 25C19 23C 15.83 23O 25C19 19CD 75.71 23O 25C19 19OE1 88.43 23C 25C19 19CD 61.25 23C 25C19 19OE1 74.96 162CG 25C19 162NE2 27.82 162CG 25C19 19CD 86.48 162CG 25C19 19OE1 71.46 162CG 25C19 161C 57.47 162CG 25C19 162CB 18.04 162NE2 25C19 19CD 58.67 162NE2 25C19 19OE1 43.65 162NE2 25C19 161C 85.29 162NE2 25C19 162CB 45.84 19CD 25C19 19OE1 15.17 19OE1 25C19 162CB 89.49 161C 25C19 162CB 39.48 19NE2 25O20 25SG 93.68 19NE2 25O20 23CA 67.16 19NE2 25O20 25CB 65.25 19NE2 25O20 23C 68.09 19NE2 25O20 19CD 11.46 19NE2 25O20 23O 84.29 19NE2 25O20 25N 55.54 19NE2 25O20 19OE1 27.77 19NE2 25O20 24N 52.93 19NE2 25O20 162CD2 84.48 19NE2 25O20 23N 61.60 19NE2 25O20 25CA 59.16 19NE2 25O20 22O 33.73 25SG 25O20 25CB 29.49 25SG 25O20 23C 86.92 25SG 25O20 19CD 84.98 25SG 25O20 23O 77.98 25SG 25O20 25N 47.84 25SG 25O20 19OE1 75.69 25SG 25O20 24N 81.49 25SG 25O20 162CD2 54.46 25SG 25O20 25CA 35.73 25SG 25O20 161O 62.50 23CA 25O20 23C 23.99 23CA 25O20 19CD 77.34 23CA 25O20 23O 36.67 23CA 25O20 25N 69.78 23CA 25O20 19OE1 93.50 23CA 25O20 24N 33.03 23CA 25O20 23N 10.73 23CA 25O20 25CA 87.65 23CA 25O20 22O 36.27 25CB 25O20 23C 83.77 25CB 25O20 19CD 55.78 25CB 25O20 23O 83.59 25CB 25O20 25N 34.83 25CB 25O20 19OE1 46.44 25CB 25O20 24N 71.21 25CB 25O20 162CD2 47.80 25CB 25O20 25CA 16.76 25CB 25O20 22O 91.65 25CB 25O20 161O 85.05 23C 25O20 19CD 75.06 23C 25O20 23O 17.82 23C 25O20 25N 49.05 23C 25O20 19OE1 88.41 23C 25O20 24N 16.95 23C 25O20 23N 33.23 23C 25O20 25CA 67.04 23C 25O20 22O 47.64 19CD 25O20 23O 89.75 19CD 25O20 25N 52.63 19CD 25O20 19OE1 16.53 19CD 25O20 24N 58.75 19CD 25O20 162CD2 73.33 19CD 25O20 23N 72.54 19CD 25O20 25CA 52.30 19CD 25O20 22O 45.08 23O 25O20 25N 51.85 23O 25O20 24N 31.38 23O 25O20 23N 47.25 23O 25O20 25CA 68.11 23O 25O20 22O 65.37 25N 25O20 19OE1 55.38 25N 25O20 24N 36.84 25N 25O20 162CD2 82.30 25N 25O20 23N 74.87 25N 25O20 25CA 18.06 25N 25O20 22O 66.79 19OE1 25O20 24N 71.53 19OE1 25O20 162CD2 56.81 19OE1 25O20 23N 89.05 19OE1 25O20 25CA 48.64 19OE1 25O20 22O 61.51 24N 25O20 23N 38.39 24N 25O20 25CA 54.62 24N 25O20 22O 40.31 162CD2 25O20 25CA 64.39 162CD2 25O20 161O 59.56 23N 25O20 25CA 92.03 23N 25O20 22O 28.59 25CA 25O20 22O 79.45 25CA 25O20 161O 97.28 25SG 25C21 161O 94.20 25SG 25C21 23O 80.20 25SG 25C21 25CB 11.32 25SG 25C21 23C 74.97 25SG 25C21 161C 90.47 25SG 25C21 23CA 85.24 25SG 25C21 162CA 61.66 25SG 25C21 25N 34.26 25SG 25C21 162CD2 42.75 161O 25C21 25CB 99.42 161O 25C21 161C 6.02 161O 25C21 162CA 32.54 161O 25C21 162CD2 63.74 23O 25C21 25CB 75.76 23O 25C21 23C 15.44 23O 25C21 65CA 51.45 23O 25C21 23CA 31.46 23O 25C21 25N 46.40 25CB 25C21 23C 68.05 25CB 25C21 161C 96.56 25CB 25C21 23CA 75.96 2SCB 25C21 162CA 67.42 2SCB 25C21 25N 29.59 25CB 25C21 162CD2 41.05 23C 25C21 65CA 65.91 23C 25C21 23CA 19.15 23C 25C21 25N 41.03 65CA 25C21 23CA 74.18 65CA 25C21 25N 90.25 161C 25C21 162CA 29.15 161C 25C21 162CD2 63.15 23CA 25C21 25N 54.22 23CA 25C21 162CD2 99.59 162CA 25C21 25N 95.84 162CA 25C21 162CD2 38.23 25N 25C21 162CD2 69.67 161O 25N22 161C 14.11 161O 25N22 162CA 41.10 161O 25N22 162N 27.68 161O 25N22 163N 72.60 161O 25N22 162C 56.36 161O 25N22 161CA 21.99 25SG 25N22 162CA 74.63 25SG 25N22 162N 94.42 25SG 25N22 163N 59.02 25SG 25N22 25CB 3.31 25SG 25N22 162C 70.77 161C 25N22 162CA 35.66 161C 25N22 162N 17.48 161C 25N22 163N 63.91 161C 25N22 162C 47.46 161C 25N22 161CA 15.87 162CA 25N22 162N 19.79 162CA 25N22 163N 32.40 162CA 25N22 25CB 71.33 162CA 25N22 162C 17.88 162CA 25N22 161CA 50.91 162N 25N22 163N 46.46 162N 25N22 25CB 91.12 162N 25N22 162C 29.99 162N 25N22 161CA 31.55 163N 25N22 25CB 56.10 163N 25N22 162C 16.47 163N 25N22 161CA 76.35 25CB 25N22 162C 67.57 162C 25N22 161CA 60.36 161O 25C23 25SG 74.84 161O 25C23 161C 14.77 161O 25C23 162N 24.77 161O 25C23 162CA 32.09 161O 25C23 161CA 26.81 25SG 25C23 161C 82.13 25SG 25C23 65CA 98.69 25SG 25C23 162N 73.79 25SG 25C23 162CA 57.15 25SG 25C23 26CD1 66.11 25SG 25C23 161CA 99.24 25SG 25C23 26CB 66.49 161C 25C23 162N 14.87 161C 25C23 162CA 29.26 161C 25C23 161CA 17.21 66O 25C23 65CA 69.84 66O 25C23 66N 37.37 66O 25C23 65C 52.20 66O 25C23 26CD1 54.29 66O 25C23 26CB 42.11 65CA 25C23 66N 32.68 65CA 25C23 65C 17.67 65CA 25C23 26CD1 48.54 65CA 25C23 26CB 74.99 66N 25C23 65C 15.04 66N 25C23 26CD1 43.34 66N 25C23 26CB 56.16 162N 25C23 162CA 17.00 162N 25C23 161CA 29.22 162CA 25C23 161CA 45.57 65C 25C23 26CD1 42.77 65C 25C23 26CB 63.55 26CD1 25C23 26CB 29.73 65CA 25O24 66N 44.96 65CA 25O24 65C 24.04 65CA 25O24 66O 88.80 65CA 25O24 65N 11.32 65CA 25O24 26CD1 59.03 65CA 25O24 66CA 56.76 65CA 25O24 66C 76.00 6SCA 25O24 64O 31.19 65CA 25O24 23O 51.20 65CA 25O24 26CG 69.83 65CA 25O24 26CB 87.37 65CA 25O24 65O 23.39 65CA 25O24 64C 20.95 66N 25O24 65C 20.92 66N 25O24 66O 44.37 66N 25O24 65N 56.05 66N 25O24 26CD1 51.61 66N 25O24 66CA 11.81 66N 25O24 66C 31.20 66N 25O24 64O 68.01 66N 25O24 23O 77.65 66N 25O24 26CG 49.90 66N 25O24 26CB 61.70 66N 25O24 65O 21.59 66N 25O24 64C 64.08 65C 25O24 66O 65.02 65C 25O24 65N 35.18 65C 25O24 26CD1 51.98 65C 25O24 66CA 32.73 65C 25O24 66C 52.03 65C 25O24 64O 49.51 65C 25O24 23O 64.02 65C 25O24 26CG 57.07 65C 25O24 26CB 72.88 65C 25O24 65O 0.87 65C 25O24 64C 43.58 66O 25O24 65N 99.41 66O 25O24 26CD1 61.59 66O 25O24 66CA 32.76 66O 25O24 66C 13.43 66O 25O24 26CG 47.99 66O 25O24 26CB 43.51 66O 25O24 65O 65.76 65N 25O24 26CD1 62.12 65N 25O24 66CA 67.82 65N 25O24 66C 86.89 65N 25O24 64O 27.80 65N 25O24 23O 45.06 65N 25O24 26CG 74.86 65N 25O24 26CB 92.41 65N 25O24 65O 34.57 65N 25O24 64C 14.20 26CD1 25O24 25SG 67.04 26CD1 25O24 66CA 53.75 26CD1 25O24 66C 58.39 26CD1 25O24 64O 89.45 26CD1 25O24 23O 41.01 26CD1 25O24 26CG 15.28 26CD1 25O24 26CB 31.14 26CD1 25O24 65O 52.64 26CD1 25O24 64C 76.32 25SG 25O24 161O 59.11 25SG 25O24 23O 57.25 25SG 25O24 26CG 69.72 25SG 25O24 26CB 63.45 66CA 25O24 66C 19.46 66CA 25O24 64O 78.88 66CA 25O24 23O 85.60 66CA 25O24 26CG 48.11 66CA 25O24 26CB 56.41 66CA 25624 65O 33.40 66CA 25O24 64C 75.76 66C 25O24 64O 97.72 66C 25O24 23O 96.86 66C 25O24 26CG 47.34 66C 25O24 26CB 48.38 66C 25O24 65O 52.74 66C 25O24 64C 95.21 64O 25O24 23O 69.05 64O 25O24 65O 48.66 64O 25O24 64C 14.27 23O 25O24 26CG 55.76 23O 25O24 26CB 67.79 23O 25O24 65O 64.06 23O 25O24 64C 55.23 26CG 25O24 26CB 17.62 26CG 25O24 65O 57.87 26CG 25O24 64C 88.94 26CB 25C24 65O 73.72 65O 25O24 64C 42.81 161O 25C25 161C 18.10 161O 25C25 162N 30.50 161O 25C25 161CA 32.52 161O 25C25 163N 64.43 161O 25C25 25SG 63.34 161O 25C25 162CA 35.10 161O 25C25 162C 53.40 161O 25C25 163CB 93.18 66O 25C25 25SG 99.66 66O 25C25 66N 34.44 66O 25C25 163CB 83.50 161C 25C25 162N 17.33 161C 25C25 161CA 19.80 161C 25C25 163N 60.64 161C 25C25 25SG 75.44 161C 25C25 162CA 30.92 161C 25C25 162C 46.09 161C 25C25 163CB 89.51 162N 25C25 161CA 32.24 162N 25C25 163N 44.92 162N 25C25 25SG 71.34 162N 25C25 162CA 18.08 162N 25C25 162C 29.44 162N 25C25 163CB 73.04 161CA 25C25 163N 77.08 161CA 25C25 25SG 94.58 161CA 25C25 162CA 49.19 161CA 25C25 162C 61.23 163N 25C25 25SG 49.61 163N 25C25 162CA 30.25 163N 25C25 162C 16.24 163N 25C25 163CB 29.19 25SG 25C25 162CA 54.70 25SG 25C25 162C 58.88 25SG 25C25 66N 88.50 25SG 25C25 163CB 57.12 162CA 25C25 162C 18.49 162CA 25C25 163CB 59.44 162C 25C25 163CB 43.61 66O 25C26 26CB 56.41 66O 25C26 66C 2.37 66O 25C26 26CA 74.83 66O 25C26 68SD 74.84 66O 25C26 66N 33.64 66O 25C26 26N 86.28 66O 25C26 26CG 50.23 66O 25C26 26CD1 56.63 163CB 25C26 26CB 71.13 163CB 25C26 163N 35.96 163CB 25C26 25SG 68.31 163CB 25C26 163CA 18.75 163CB 25C26 26CA 53.74 163CB 25C26 162C 49.97 163CB 25C26 68SD 50.69 163CB 25C26 161O 96.76 163CB 25C26 26N 55.09 163CB 25C26 26CG 85.31 163CB 25C26 162CA 65.37 163CB 25C26 161C 92.67 163CB 25C26 162N 78.07 163CB 25C26 26CD1 92.73 26CB 25C26 163N 98.44 26CB 25C26 25SG 73.00 26CB 25C26 163CA 88.50 26CB 25C26 66C 55.68 26CB 25C26 26CA 18.86 26CB 25C26 68SD 60.85 26CB 25C26 66N 60.69 26CB 25C26 26N 31.12 26CB 25C26 26CG 15.82 26CB 25C26 26CD1 29.79 163N 25C26 25SG 54.34 163N 25C26 163CA 19.23 163N 25C26 26CA 79.60 163N 25C26 162C 16.17 163N 25C26 68SD 84.27 163N 25C26 161O 61.07 163N 25C26 26N 71.27 163N 25C26 162CA 29.41 163N 25C26 161C 57.02 163N 25C26 162N 43.18 25SG 25C26 163CA 65.77 25SG 25C26 26CA 61.96 25SG 25C26 162C 61.73 25SG 25C26 161O 58.28 25SG 25C26 66N 92.45 25SG 25C26 26N 44.25 25SG 25C26 26CG 71.07 25SG 25C26 162CA 54.19 25SG 25C26 161C 68.75 25SG 25C26 162N 67.87 25SG 25C26 26CD1 61.51 163CA 25C26 26CA 70.22 163CA 25C26 162C 31.46 163CA 25C26 68SD 65.05 163CA 25C26 161O 79.96 163CA 25C26 26N 67.43 163CA 25C26 162CA 47.86 163CA 25C26 161C 74.37 163CA 25C26 162N 59.50 66C 25C26 26CA 74.25 66C 25C26 68SD 76.55 66C 25C26 66N 31.36 66C 25C26 26N 85.17 66C 25C26 26CG 48.83 66C 25C26 26CD1 54.70 26CA 25C26 162C 95.72 26CA 25C26 68SD 58.01 26CA 25C26 66N 77.90 26CA 25C26 26N 17.81 26CA 25C26 26CG 31.59 26CA 25C26 26CD1 40.72 162C 25C26 68SD 93.90 162C 25C26 161O 49.88 162C 25C26 26N 86.44 162C 25C26 162CA 18.09 162C 25C26 161C 42.92 162C 25C26 162N 28.10 68SD 25C26 26N 73.74 68SD 25C26 26CG 75.07 68SD 25C26 26CD1 90.33 161O 25C26 162CA 32.21 161O 25C26 161C 14.49 161O 25C26 162N 26.44 66N 25C26 26N 79.75 66N 25C26 26CG 46.31 66N 25C26 26CD1 41.21 26N 25C26 26CG 36.93 26N 25C26 162CA 89.41 26N 25C26 26CD1 38.63 26CG 25C26 26CD1 15.55 162CA 25C26 161C 28.03 162CA 25C26 162N 16.67 161C 25C26 162N 15.37 163CB 25C27 68SD 63.80 163CB 25C27 163CA 20.61 163CB 25C27 163N 36.17 163CB 25C27 68CE 66.45 163CB 25C27 134CB 82.27 163CB 25C27 26CB 68.13 163CB 25C27 162C 50.98 163CB 25C27 162O 55.96 163CB 25C27 26CA 50.39 68SD 25C27 66O 85.83 68SD 25C27 163CA 78.97 68SD 25C27 163N 98.79 68SD 25C27 68CE 27.50 68SD 25C27 134CB 86.61 68SD 25C27 209CD2 77.07 68SD 25C27 26CB 65.47 68SD 25C27 66C 82.65 68SD 25C27 26CA 60.55 68SD 25C27 67CA 62.19 66O 25C27 26CB 49.09 66O 25C27 66C 4.22 66O 25C27 26CA 66.81 66O 25C27 67CA 32.70 163CA 25C27 163N 20.52 163CA 25C27 68CE 72.92 163CA 25C27 134CB 68.04 163CA 25C27 26CB 86.68 163CA 25C27 162C 32.08 163CA 25C27 162O 35.38 163CA 25C27 26CA 69.20 163N 25C27 68CE 93.00 163N 25C27 134CB 74.40 163N 25C27 26CB 90.05 163N 25C27 162C 16.34 163N 25C27 162O 27.46 163N 25C27 26CA 74.74 68CE 25C27 134CB 59.27 68CE 25C27 209CD2 56.93 68CE 25C27 26CB 92.20 68CE 25C27 162C 98.29 68CE 25C27 162O 89.77 68CE 25C27 26CA 84.17 68CE 25C27 67CA 79.42 134CB 25C27 209CD2 45.82 134CB 25C27 162C 65.01 134CB 25C27 162O 50.58 209CD2 25C27 162O 95.82 209CD2 25C27 67CA 79.47 26CB 25C27 66C 50.07 26CB 25C27 26CA 17.74 26CB 25C27 67CA 62.22 162C 25C27 162O 14.47 162C 25C27 26CA 90.70 66C 25C27 26CA 67.64 66C 25C27 67CA 28.48 26CA 25C27 67CA 76.24 134CB 25C28 163CB 94.94 134CB 25C28 163N 95.08 134CB 25C28 162C 86.92 134CB 25C28 162O 68.97 134CB 25C28 163CA 83.27 134CB 25C28 209CD2 54.77 134CB 25C28 134CA 19.96 134CB 25C28 162N 96.63 134CB 25C28 68CE 62.89 134CB 25C28 68SD 87.41 134CB 25C28 134C 23.58 134CB 25C28 161N 87.00 163CB 25C28 163N 38.06 163CB 25C28 162C 57.44 163CB 25C28 162O 66.17 163CB 25C28 163CA 22.67 163CB 25C28 134CA 78.61 163CB 25C28 162N 88.44 163CB 25C28 162CA 69.97 163CB 25C28 68CE 60.09 163CB 25C28 68SD 51.61 163CB 25C28 161C 98.14 163CB 25C28 66O 84.86 163CB 25C28 134C 88.60 163CB 25C28 161O 91.88 163N 25C28 162C 20.41 163N 25C28 162O 35.09 163N 25C28 163CA 22.12 163N 25C28 134CA 75.15 163N 25C28 162N 50.53 163N 25C28 162CA 32.37 163N 25C28 68CE 93.09 163N 25C28 68SD 89.55 163N 25C28 161C 62.08 163N 25C28 134C 76.23 163N 25C28 161O 59.80 163N 25C28 161N 83.44 162C 25C28 162O 18.65 162C 25C28 163CA 37.49 162C 25C28 134CA 68.48 162C 25C28 162N 33.45 162C 25C28 162CA 18.81 162C 25C28 161C 48.13 162C 25C28 134C 64.60 162C 25C28 161O 50.86 162C 25C28 161N 64.31 162O 25C28 163CA 43.61 162O 25C28 134CA 51.60 162O 25C28 162N 38.24 162O 25C28 162CA 32.12 162O 25C28 161C 54.89 162O 25C28 134C 46.14 162O 25C28 161O 62.22 162O 25C28 161N 60.29 163CA 25C28 134CA 64.10 163CA 25C28 162N 70.64 163CA 25C28 162CA 53.50 163CA 25C28 68CE 71.06 163CA 25C28 68SD 70.42 163CA 25C28 161C 83.69 163CA 25C28 134C 70.58 163CA 25C28 161O 81.89 209CD2 25C28 134CA 73.08 209CD2 25C28 68CE 56.44 209CD2 25C28 68SD 70.67 209CD2 25C28 66O 90.11 209CD2 25C28 134C 77.77 134CA 25C28 162N 84.78 134CA 25C28 162CA 83.66 134CA 25C28 68CE 63.87 134CA 25C28 68SD 86.25 134CA 25C28 161C 99.94 134CA 25C28 134C 14.94 134CA 25C28 161N 85.92 162N 25C28 162CA 18.62 162N 25C28 161C 16.67 162N 25C28 134C 73.76 162N 25C28 161O 26.48 162N 25C28 161N 33.69 162CA 25C28 161C 30.27 162CA 25C28 134C 76.50 162CA 25C28 161O 32.09 162CA 25C28 161N 52.27 68CE 25C28 68SD 24.56 68CE 25C28 66O 83.70 68CE 25C28 134C 78.45 68SD 25C28 66O 61.76 161C 25C28 134C 87.61 161C 25C28 161O 14.08 161C 25C28 161N 30.20 66O 25C28 161O 96.95 134C 25C28 161N 71.12 161O 25C28 161N 43.13 66O 25C29 68SD 95.60 66O 25C29 67CA 46.15 66O 25C29 67CD1 76.62 66O 25C29 66C 11.19 66O 25C29 67N 28.20 66O 25C29 68N 68.80 66O 25C29 67C 53.21 66O 25C29 67CB 59.40 66O 25C29 67CG 63.57 66O 25C29 234OH2 97.74 66O 25C29 26CB 45.24 66O 25C29 67CE1 81.98 209CD2 25C29 68SD 86.14 209CD2 25C29 67CD1 76.20 209CD2 25C29 68CE 61.12 209CD2 25C29 68N 93.85 209CD2 25C29 67CB 92.20 209CD2 25C29 67CG 87.96 209CD2 25C29 134CB 44.39 209CD2 25C29 234OH2 59.00 209CD2 25C29 67CE1 74.42 68SD 25C29 67CA 76.30 68SD 25C29 66C 94.73 68SD 25C29 68CE 26.92 68SD 25C29 67N 86.90 68SD 25C29 68N 44.21 68SD 25C29 67C 58.54 68SD 25C29 67CB 85.01 68SD 25C29 163CB 50.89 68SD 25C29 134CB 79.09 68SD 25C29 234OH2 57.89 68SD 25C29 26CB 61.09 67CA 25C29 67CD1 50.51 67CA 25C29 66C 35.89 67CA 25C29 68CE 93.88 67CA 25C29 67N 18.53 67CA 25C29 68N 33.04 67CA 25C29 67C 17.87 67CA 25C29 67CB 18.28 67CA 25C29 67CG 34.89 67CA 25C29 234OH2 51.94 67CA 25C29 26CB 68.39 67CA 25C29 67CE1 64.72 67CD1 25C29 66C 66.65 67CD1 25C29 67N 56.05 67CD1 25C29 68N 72.69 67CD1 25C29 67C 65.26 67CD1 25C29 67CB 33.63 67CD1 25C29 67CG 15.94 67CD1 25C29 234OH2 57.55 67CD1 25C29 67CE1 15.80 66C 25C29 67N 17.49 66C 25C29 68N 61.93 66C 25C29 67C 45.45 66C 25C29 67CB 48.27 66C 25C29 67CG 52.89 66C 25C29 234OH2 87.82 66C 25C29 26CB 52.23 66C 25C29 67CE1 73.67 68CE 25C29 68N 61.24 68CE 25C29 67C 77.92 68CE 25C29 67CB 95.69 68CE 25C29 163CB 55.77 68CE 25C29 134CB 54.85 68CE 25C29 234OH2 55.46 68CE 25C29 26CB 86.35 67N 25C29 68N 47.83 67N 25C29 67C 30.97 67N 25C29 67CB 31.65 67N 25C29 67CG 40.58 67N 25C29 234OH2 70.44 67N 25C29 26CB 60.08 67N 25C29 67CE1 66.83 68N 25C29 67C 16.87 68N 25C29 67CB 41.26 68N 25C29 67CG 60.50 68N 25C29 163CB 90.93 68N 25C29 234OH2 36.37 68N 25C29 26CB 64.40 68N 25C29 67CE1 88.49 67C 25C29 67CB 31.65 67C 25C29 67CG 50.66 67C 25C29 163CB 99.57 67C 25C29 234OH2 46.71 67C 25C29 26CB 59.86 67C 25C29 67CE1 80.48 67CB 25C29 67CG 19.43 67CB 25C29 234OH2 44.01 67CB 25C29 26CB 86.67 67CB 25C29 67CE1 48.89 67CG 25C29 234OH2 54.79 67CG 25C29 67CE1 29.95 163CB 25C29 134CB 64.77 163CB 25C29 26CB 55.99 134CB 25C29 234OH2 92.26 234OH2 25C29 67CE1 70.61 66O 25N30 66N 36.00 66O 25N30 66C 10.42 66N 25N30 66C 31.15 161O 25N30 161C 14.88 161O 25N30 161CA 29.27 161O 25N30 160O 61.86 161C 25N30 161CA 18.36 161C 25N30 160O 49.77 161CA 25N30 160O 32.60 160O 25C31 161CA 38.22 160O 25C31 160C 13.90 160O 25C31 161C 56.07 160O 25C31 161N 27.07 160O 25C31 161O 68.03 161CA 25C31 160C 31.81 161CA 25C31 161C 19.14 161CA 25C31 161N 17.82 161CA 25C31 161O 29.81 160C 25C31 161C 46.85 160C 25C31 161N 16.04 160C 25C31 161O 60.44 161C 25C31 161N 30.84 161C 25C31 161O 14.70 66O 25C31 67CE1 65.45 161N 25C31 161O 44.68 160O 25O32 160C 20.78 160O 25O32 161CA 51.99 160O 25O32 161N 38.37 160O 25O32 161C 74.30 160O 25O32 160CB 45.78 160O 25O32 161O 86.34 160O 25O32 160CA 28.59 160O 25O32 162N 77.29 160O 25O32 161CB 49.03 160C 25O32 161CA 42.82 160C 25O32 161N 21.72 160C 25O32 161C 61.05 160C 25O32 160CB 36.54 160C 25O32 161O 75.94 160C 25O32 160CA 16.12 160C 25O32 162N 59.68 160C 25O32 161CB 45.43 161CA 25O32 161N 24.13 161CA 25O32 161C 23.46 161CA 25O32 160CB 75.84 161CA 25O32 161O 34.47 161CA 25O32 160CA 57.38 161CA 25O32 162N 33.92 161CA 25O32 161CB 11.93 161N 25O32 161C 39.41 161N 25O32 160CB 51.73 161N 25O32 161O 54.76 161N 25O32 160CA 34.01 161N 25O32 162N 39.00 161N 25O32 161CB 31.34 161C 25O32 160CB 86.66 161C 25O32 161O 16.47 161C 25O32 160CA 72.47 161C 25O32 162N 16.93 161C 25O32 161CB 32.27 160CB 25O32 160CA 20.46 160CB 25O32 162N 76.70 160CB 25O32 161CB 81.15 161O 25O32 160CA 88.45 161O 25O32 162N 29.70 161O 25O32 161CB 38.78 160CA 25O32 162N 66.95 160CA 25O32 161CB 61.27 162N 25O32 161CB 45.15 67CE1 25C33 67CZ 16.24 67CE1 25C33 67CD1 18.33 67CE1 25C33 67OH 30.78 67CZ 25C33 67CD1 31.64 67CZ 25C33 67OH 17.77 67CD1 25C33 67OH 48.37 160O 25C34 160C 9.85 160O 25C34 160CB 38.05 67CE1 25C34 67OH 31.14 67CE1 25C34 67CZ 15.25 67CE1 25C34 67CD1 15.11 67OH 25C34 67CZ 17.26 67OH 25C34 67CD1 45.96 67CZ 25C34 67CD1 29.18 160C 25C34 160CB 29.90 67CE1 25C35 67OH 32.70 67CE1 25C35 209CD2 77.34 67CE1 25C35 67CZ 14.99 67CE1 25C35 67CD1 16.08 67CE1 25C35 209CD1 77.10 67OH 25C35 67CZ 17.98 67OH 25C35 67CD1 48.74 67OH 25C35 209CD1 99.59 209CD2 25C35 67CZ 92.22 209CD2 25C35 67CD1 62.32 209CD2 25C35 160O 97.37 209CD2 25C35 160CB 70.82 209CD2 25C35 209CD1 31.32 67CZ 25C35 67CD1 30.87 67CZ 25C35 209CD1 88.81 67CD1 25C35 209CD1 67.63 160O 25C35 160CB 37.56 160CB 25C35 209CD1 83.17 160O 25N36 160CB 39.26 160O 25N36 160CD1 70.13 160O 25N36 160CG 56.11 160CB 25N36 160CD1 30.89 160CB 25N36 160CG 18.76 160CD1 25N36 160CG 18.07 67CE1 25N36 67OH 27.00 160O 25C37 160CB 42.20 160O 25C37 160N 37.40 160O 25C37 160C 10.47 160O 25C37 160CA 28.50 160O 25C37 160CG 58.56 160O 25C37 158O 81.42 160CB 25C37 160N 31.80 160CB 25C37 160C 31.91 160CB 25C37 160CA 18.43 160CB 25C37 160CG 17.89 160CB 25C37 158O 70.66 160N 25C37 160C 30.12 160N 25C37 160CA 17.61 160N 25C37 160CG 36.16 160N 25C37 158O 47.06 160C 25C37 160CA 18.39 160C 25C37 160CG 48.09 160C 25C37 158O 76.49 160CA 25C37 160CG 31.12 160CA 25C37 158O 63.78 160CG 25C37 158O 60.96 160O 25N38 160C 7.90 160O 25N38 160CB 39.77 160O 25N38 160N 32.65 160O 25N38 160CA 24.13 160C 25N38 160CB 32.02 160C 25N38 160N 29.52 160C 25N38 160CA 17.57 160CB 25N38 160N 29.89 160CB 25N38 160CA 18.19 160N 25N38 160CA 17.29

TABLE XX Table of distances in Ångstroms between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor 3(S)-3-[(N-benzyloxycarbonyl)-L-leucinyl]amino-5- methyl-1-(1-propoxy)-2-hexanone. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. 25C1 242OH2 3.097 25C1 18OD1 3.745 25C1 184CB 3.754 25C1 184CA 3.830 25C1 18ND2 3.916 25C1 184O 3.932 25C1 184CG 3.975 25C1 184CD1 4.022 25C1 18CG 4.158 25C1 184C 4.165 25C1 184CD2 4.830 25C1 184NE1 4.840 25C1 20O 4.895 25C2 18OD1 2.946 25C2 184CD1 3.510 25C2 184CA 3.592 25C2 18CG 3.620 25C2 20N 3.785 25C2 18ND2 3.842 25C2 184CB 3.886 25C2 242OH2 3.894 25C2 184CG 3.897 25C2 20O 3.948 25C2 183O 4.106 25C2 184C 4.198 25C2 19CG 4.207 25C2 20CA 4.229 25C2 19N 4.334 25C2 184O 4.367 25C2 184NE1 4.377 25C2 20C 4.510 25C2 184N 4.678 25C2 19C 4.809 25C2 18CB 4.827 25C2 183C 4.828 25C2 18CA 4.864 25C2 18C 4.870 25C2 184CD2 4.940 25C2 19CA 4.979 25C3 20O 2.991 25C3 184CD1 3.420 25C3 19CG 3.464 25C3 20N 3.592 25C3 18OD1 3.738 25C3 20C 3.852 25C3 184NE1 3.896 25C3 20CA 4.002 25C3 184CG 4.180 25C3 19CD 4.295 25C3 19C 4.443 25C3 19N 4.455 25C3 184CA 4.500 25C3 183O 4.509 25C3 19CB 4.596 25C3 184CB 4.635 25C3 18CG 4.662 25C3 19OE1 4.690 25C3 19CA 4.707 25C3 184CE2 4.837 25C3 242OH2 4.986 25C4 20O 3.250 25C4 184CD1 3.862 25C4 184NE1 3.932 25C4 20C 4.284 25C4 19CG 4.378 25C4 184CG 4.519 25C4 184CE2 4.630 25C4 20N 4.702 25C4 20CA 4.823 25C4 19CD 4.851 25C4 21NE2 4.914 25C4 18OD1 4.958 25C4 184CD2 4.971 25C5 184CD1 4.323 25C5 20O 4.342 25C5 184NE1 4.439 25C5 184CG 4.577 25C5 184CE2 4.766 25C5 242OH2 4.835 25C5 184CD2 4.858 25C5 21NE2 4.951 25C6 242OH2 3.703 25C6 184CG 4.325 25C6 184CD1 4.403 25C6 184CB 4.414 25C6 184CD2 4.792 25C6 184NE1 4.871 25C6 184CA 4.873 25C6 18OD1 4.955 25C6 184O 4.967 25C7 20O 3.169 25C7 184NE1 4.191 25C7 20C 4.372 25C7 19CG 4.412 25C7 19CD 4.508 25C7 184CD1 4.544 25C7 19NE2 4.715 25C7 19OE1 4.899 25C7 184CE2 4.927 25O8 184NE1 3.443 25O8 19CD 3.459 25O8 19NE2 3.624 25O8 19OE1 3.712 25O8 19CG 3.802 25O8 20O 3.894 25O8 184CD1 4.085 25O8 184CE2 4.312 25O8 22O 4.666 25O8 184CZ2 4.747 25C9 19NE2 3.833 25C9 184NE1 3.925 25C9 19CD 3.963 25C9 19OE1 4.023 25C9 184CE2 4.572 25C9 184CZ2 4.604 25C9 19CG 4.740 25C9 184CD1 4.906 25C9 22O 4.956 25O10 19NE2 3.975 25O10 23CA 4.264 25O10 19CD 4.483 25O10 22O 4.554 25O10 23N 4.718 25O10 19OE1 4.724 25O10 22C 4.857 25C11 162ND1 3.919 25C11 184CZ2 3.933 25C11 162CE1 4.435 25C11 184NE1 4.520 25C11 184CE2 4.600 25C11 162CG 4.656 25C11 184CH2 4.932 25C11 162CB 4.962 25C13 138OG 4.932 25C15 138OG 3.572 25C15 138CB 4.696 25C15 138CA 4.824 25C15 161OD1 4.950 25C16 162ND1 3.171 25C16 161O 3.822 25C16 162CG 3.975 25C16 162CE1 4.007 25C16 162CB 4.112 25C16 25SG 4.187 25C16 162CA 4.258 25C16 161C 4.677 25C16 184CZ2 4.751 25C16 25CB 4.882 25C16 162N 4.893 25C16 19OE1 4.906 25O17 162ND1 2.637 25O17 162CB 2.951 25O17 161O 3.023 25O17 162CG 3.092 25O17 162CA 3.124 25O17 161C 3.669 25O17 162N 3.731 25O17 162CE1 3.755 25O17 25SG 4.071 25O17 161OD1 4.274 25O17 162CD2 4.298 25O17 162C 4.467 25O17 162NE2 4.594 25O17 184CZ2 4.770 25O17 163N 4.786 25O17 25CB 4.931 25O17 161CA 4.957 25O17 161CB 4.964 25N18 25SG 3.671 25N18 162ND1 3.834 25N18 161O 3.966 25N18 25CB 4.503 25N18 19NE2 4.507 25N18 23CA 4.510 25N18 162CE1 4.582 25N18 162CA 4.791 25N18 19OE1 4.810 25N18 162CG 4.836 25N18 162CB 4.998 25C19 25SG 2.829 25C19 161O 3.274 25C19 162ND1 4.108 25C19 25CB 4.147 25C19 162CA 4.350 25C19 161C 4.428 25C19 23CA 4.502 25C19 23O 4.704 25C19 23C 4.758 25C19 162N 4.907 25C19 25N 4.915 25C19 19NE2 4.957 25C19 163N 4.992 25C19 162CE1 4.994 25C19 162CB 4.997 25C20 161O 3.580 25C20 25SG 4.069 25C20 23CA 4.393 25C20 23O 4.523 25C20 23C 4.786 25C20 161C 4.808 25C21 161O 3.316 25C21 161C 4.462 25C22 161O 2.892 25C22 161C 3.848 25C22 161CA 4.121 25C22 161CB 4.359 25C23 64O 4.590 25C23 161O 4.811 25N24 184NE1 3.412 25N24 184CZ2 3.492 25N24 184CE2 3.750 25N24 19OE1 4.106 25N24 162ND1 4.147 25N24 162CE1 4.221 25N24 19CD 4.432 25N24 19NE2 4.515 25N24 184CD1 4.633 25N24 184CH2 4.684 25C25 25SG 1.822 25C25 25CB 3.054 25C25 25N 3.471 25C25 23O 3.687 25C25 25CA 3.792 25C25 23C 3.793 25C25 23CA 3.994 25C25 19NE2 4.214 25C25 162ND1 4.271 25C25 161O 4.312 25C25 24N 4.350 25C25 26N 4.445 25C25 25C 4.500 25C25 24C 4.578 25C25 163N 4.693 25C25 19OE1 4.797 25C25 162CA 4.833 25C25 162CE1 4.899 25C25 24CA 4.928 25C25 19CD 4.983 25O26 25SG 2.496 25O26 25N 2.842 25O26 23C 2.922 25O26 25CB 2.985 25O26 23CA 3.053 25O26 19NE2 3.071 25O26 23O 3.183 25O26 24N 3.337 25O26 25CA 3.477 25O26 24C 3.898 25O26 19CD 3.997 25O26 19OE1 4.054 25O26 24CA 4.110 25O26 23N 4.413 25O26 22O 4.471 25O26 25C 4.502 25O26 26N 4.555 25O26 162ND1 4.591 25O26 22C 4.912 25O26 162CE1 4.933 25C27 25SG 2.646 25C27 23O 3.049 25C27 23C 3.646 25C27 25N 3.830 25C27 65CA 3.894 25C27 25CB 4.015 25C27 26CD1 4.040 25C27 26N 4.152 25C27 23CA 4.158 25C27 25CA 4.348 25C27 24N 4.411 25C27 24C 4.634 25C27 25C 4.654 25C27 161O 4.714 25C27 65N 4.725 25C27 26CB 4.746 25C27 66N 4.758 25C27 24CA 4.780 25C27 26CG 4.815 25C27 65C 4.906 25O28 25SG 3.234 25O28 65CA 3.931 25O28 161O 3.970 25O28 23O 4.277 25O28 66N 4.333 25O28 66O 4.402 25O28 26CD1 4.553 25O28 65C 4.712 25O28 26N 4.830 25O28 26CB 4.858 25O28 161C 4.903 25O28 25CB 4.910 25O28 163N 4.929 25C29 66O 3.071 25C29 66N 3.131 25C29 65CA 3.415 25C29 65C 3.768 25C29 66C 4.000 25C29 26CD1 4.084 25C29 66CA 4.184 25C29 26CB 4.278 25C29 25SG 4.306 25C29 26CG 4.529 25C29 23O 4.746 25C29 65N 4.756 25C29 161O 4.948 25C29 65O 4.978 25C29 26N 4.985 25C30 66O 3.147 25C30 66N 3.696 25C30 66C 4.040 25C30 65CA 4.366 25C30 66CA 4.428 25C30 65C 4.461 25C30 161O 4.799 25C31 66O 3.488 25C31 161O 4.535 25C31 66C 4.544 25C31 161C 4.739 25C31 66N 4.865 25C31 163CB 4.886 25C31 160O 4.980

TABLE XXI Table of distance in Ångstroms between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor bis-(Cbz-leucinyl)-1,3-diamino-propan-2-one. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. 25C1 184CB 3.966 25C1 184CG 4.092 25C1 18OD1 4.178 25C1 184CD1 4.335 25C1 184CA 4.489 25C1 184CD2 4.689 25C1 184O 4.748 25C1 184C 4.857 25C2 18OD1 3.023 25C2 184CD1 4.012 25C2 184CB 4.046 25C2 184CA 4.130 25C2 184CG 4.135 25C2 18CG 4.154 25C2 20O 4.291 25C2 20N 4.526 25C2 184C 4.608 25C2 18ND2 4.696 25C2 20CA 4.804 25C2 184NE1 4.825 25C2 184O 4.835 25C2 20C 4.924 25C2 19CG 4.976 25C3 20O 3.073 25C3 18OD1 3.568 25C3 20C 3.908 25C3 20N 3.934 25C3 184CD1 3.954 25C3 20CA 4.129 25C3 19CG 4.226 25C3 184CG 4.484 25C3 184NE1 4.490 25C3 18CG 4.696 25C3 184CB 4.795 25C3 184CA 4.856 25C3 19C 4.885 25C3 19CD 4.898 25C4 20O 3.345 25C4 184CD1 4.222 25C4 184NE1 4.344 25C4 20C 4.381 25C4 184CG 4.772 25C4 19CG 4.838 25C4 184CE2 4.948 25C4 18OD1 4.956 25C4 20N 4.984 25C5 184CD1 4.521 25C5 184NE1 4.550 25C5 20O 4.685 25C5 184CG 4.727 25C5 184CE2 4.764 25C5 184CD2 4.873 25C6 184CG 4.403 25C6 184CD1 4.580 25C6 184CD2 4.609 25C6 184CB 4.657 25C6 184NE1 4.884 25C6 184CE2 4.906 25C7 20O 2.849 25C7 20C 4.026 25C7 184NE1 4.648 25C7 21CA 4.664 25C7 19CD 4.697 25C7 19CG 4.714 25C7 210E1 4.738 25C7 21N 4.799 25C7 184CD1 4.844 25C7 19OE1 4.907 25C7 19NE2 4.961 25O8 20O 3.212 25O8 19CD 3.453 25O8 19OE1 3.622 25O8 19NE2 3.664 25O8 19CG 3.806 25O8 184NE1 3.870 25O8 184CD1 4.265 25O8 20C 4.432 25O8 22O 4.540 25O8 184CE2 4.808 25O8 19CB 4.983 25C9 19OE1 3.889 25C9 19NE2 3.915 25C9 19CD 3.947 25C9 184NE1 4.155 25C9 20O 4.391 25C9 19CG 4.723 25C9 22O 4.796 25C9 184CE2 4.909 25C9 184CD1 4.929 25O10 19NE2 4.578 25O10 20O 4.660 25O10 22O 4.792 25O10 19CD 4.890 25O10 19OE1 4.963 25C11 162ND1 4.101 25C11 184CZ2 4.175 25C11 184NE1 4.284 25C11 162CE1 4.319 25C11 19OE1 4.351 25C11 184CE2 4.593 25C11 162CG 4.929 25C11 19NE2 4.945 25C11 19CD 4.953 25C15 184CZ2 4.332 25C15 184CH2 4.756 25C15 143OE1 4.901 25C15 137O 4.938 25C16 162ND1 3.174 25C16 162CE1 3.757 25C16 162CG 4.082 25C16 25SG 4.189 25C16 161O 4.344 25C16 19OE1 4.427 25C16 162CB 4.457 25C16 162CA 4.770 25C16 162NE2 4.792 25C16 19NE2 4.868 25C16 184CZ2 4.883 25C16 25CB 4.955 25C16 184NE1 4.957 25C16 162CD2 4.977 25O17 162ND1 2.574 25O17 162CG 3.155 25O17 1E2CB 3.298 25O17 162CE1 3.479 25O17 161O 3.597 25O17 162CA 3.711 25O17 25SG 4.141 25O17 161C 4.187 25O17 162CD2 4.194 25O17 162N 4.282 25O17 162NE2 4.329 25O17 161OD1 4.530 25O17 184CZ2 4.752 25O17 137CB 4.842 25N18 25SG 3.590 25N18 162ND1 3.689 25N18 162CE1 4.248 25N18 161O 4.291 25N18 19NE2 4.292 25N18 19OE1 4.452 25N18 25CB 4.467 25N18 23CA 4.557 25N18 162CG 4.791 25N18 19CD 4.816 25C19 25SG 2.732 25C19 161O 3.385 25C19 162ND1 3.772 25C19 25CB 4.081 25C19 162CA 4.451 25C19 161C 4.513 25C19 162CE1 4.560 25C19 23CA 4.589 25C19 25N 4.775 25C19 23C 4.776 25C19 23O 4.793 25C19 162CG 4.797 25C19 19NE2 4.876 25C19 162CB 4.935 25C19 162N 4.994 25N20 184NE1 3.387 25N20 19OE1 3.405 25N20 19CD 3.866 25N20 184CE2 4.004 25N20 19NE2 4.021 25N20 184CZ2 4.036 25N20 162CE1 4.357 25N20 184CD1 4.441 25N20 162ND1 4.565 25N20 19CG 4.876 25C21 25SG 1.768 25C21 25CB 2.961 25C21 25N 3.320 25C21 25CA 3.665 25C21 23O 3.874 25C21 23C 3.876 25C21 162ND1 3.978 25C21 23CA 4.127 25C21 19NE2 4.215 25C21 26N 4.241 25C21 24N 4.308 25C21 161O 4.319 25C21 25C 4.400 25C21 24C 4.472 25C21 162CE1 4.510 25C21 19OE1 4.818 25C21 24CA 4.852 25C21 163N 4.871 25C21 162CA 4.898 25C21 19CD 4.974 25C21 26CD1 4.991 25O22 25SG 2.461 25O22 25N 2.747 25O22 25CB 2.888 25O22 19NE2 3.089 25O22 23C 3.118 25O22 23CA 3.281 25O22 25CA 3.369 25O22 24N 3.372 25O22 23O 3.479 25O22 24C 3.834 25O22 19CD 4.008 25O22 19OE1 4.090 25O22 24CA 4.106 25O22 22O 4.311 25O22 162ND1 4.396 25O22 25C 4.432 25O22 26N 4.446 25O22 23N 4.563 25O22 162CE1 4.605 25O22 22C 4.909 25O22 24O 4.940 25C23 160O 4.313 25C23 67OH 4.425 25C23 67CE1 4.574 25C23 160CB 4.873 25C24 160O 3.278 25C24 16OCB 4.082 25C24 160C 4.283 25C24 67CE1 4.352 25C24 209CD2 4.555 25C24 16OCA 4.652 25C24 67OH 4.750 25C24 160N 4.847 25C25 160O 3.120 25C25 160C 4.287 25C25 67CE1 4.346 25C25 67OH 4.617 25C25 16OCB 4.802 25C25 67CZ 4.867 25C26 160O 4.072 25C26 67OH 4.149 25C26 67CE1 4.572 25C26 67CZ 4.684 25C27 67OH 3.768 25C27 67CZ 4.663 25C27 67CE1 4.776 25C27 160O 4.939 25C28 67OH 3.920 25C28 67CE1 4.781 25C28 67CZ 4.836 25C29 160O 4.671 25C29 67OH 4.760 25O30 275OH2 4.167 25O30 160O 4.205 25O30 161CA 4.860 25C31 160O 3.769 25C31 161CA 4.036 25C31 161O 4.057 25C31 275OH2 4.224 25C31 161C 4.371 25C31 160C 4.689 25C31 161N 4.855 25C31 161CB 4.868 25O32 160O 2.767 25O32 161CA 2.883 25O32 161O 3.281 25O32 161C 3.329 25O32 160C 3.543 25O32 161N 3.634 25O32 161CB 3.892 25O32 162N 4.376 25O32 16OCA 4.974 25O32 275OH2 4.982 25C33 161O 3.671 25C33 66O 4.037 25C33 161C 4.309 25C33 66N 4.440 25C33 275OH2 4.717 25C33 161CA 4.785 25C33 65CA 4.801 25C34 66O 2.806 25C34 66C 3.890 25C34 66N 4.077 25C34 26CB 4.273 25C34 66CA 4.590 25C34 161O 4.797 25C34 67N 4.862 25C34 26CG 4.869 25C34 163CB 4.955 25C35 66O 3.565 25C35 209CD2 4.310 25C35 134CB 4.451 25C35 163CB 4.577 25C35 66C 4.668 25C35 67CD1 4.755 25C35 163N 4.786 25C35 68SD 4.819 25C35 160O 4.923 25C35 26CB 4.937 25C35 161O 4.979 25C36 161C 3.690 25C36 161O 3.856 25C36 162N 3.868 25C36 134CB 3.869 25C36 160O 3.882 25C36 163N 3.971 25C36 161CA 4.066 25C36 162C 4.114 25C36 160C 4.145 25C36 161N 4.238 25C36 162CA 4.327 25C36 163CA 4.508 25C36 163CB 4.528 25C36 162O 4.616 25C36 209CD 4.772 25C36 16OCB 4.841 25C36 134CA 4.905 25C36 66O 4.996 25C37 209CD2 3.499 25C37 67CD1 3.574 25C37 67CE 3.696 25C37 66O 3.889 25C37 67CG 4.551 25C37 160O 4.714 25C37 67CZ 4.732 25C37 66C 4.737 25C37 134CB 4.814 25C37 67CA 4.821 25C37 209CG 4.994 25C38 65CA 3.869 25C38 161O 3.955 25C38 66N 4.001 25C38 66O 4.219 25C38 26CD1 4.264 25C38 25SG 4.271 25C38 275OH 4.287 25C38 65C 4.487 25C38 23O 4.627 25C38 26CB 4.655 25C38 26CG 4.792 25C38 64O 4.873 25C38 161C 4.899 25C38 65N 4.993 25O39 65CA 2.703 25O39 66N 3.332 25O39 65C 3.531 25O39 275OH2 3.677 25O39 64O 3.733 25O39 65N 3.795 25O39 26CD1 4.043 25O39 23O 4.088 25O39 64C 4.155 25O39 66O 4.358 25O39 66CA 4.647 25O39 65O 4.732 25O39 26CG 4.801 25O39 26NE 4.806 25O39 161O 4.910 25O39 66C 4.976 25N40 25SG 2.943 25N40 161O 3.660 25N40 26CD1 4.126 25N40 26N 4.248 25N40 23O 4.287 25N40 26CB 4.350 25N40 163N 4.551 25N40 25CB 4.560 25N40 26CG 4.646 25N40 161C 4.657 25N40 25N 4.685 25N40 65CA 4.705 25N40 66O 4.809 25N40 162CA 4.847 25N40 26CA 4.856 25N40 66N 4.876 25N40 23C 4.933 25N40 163CB 4.949 25N40 25CA 4.979 25N40 25C 4.984 25C41 25SG 2.569 25C41 23O 3.094 25C41 25N 3.498 25C41 23C 3.558 25C41 26CD 3.732 25C41 26N 3.810 25C41 25CB 3.828 25C41 25CA 4.081 25C41 23CA 4.144 25C41 24N 4.195 25C41 24C 4.371 25C41 25C 4.413 25C41 26CB 4.509 25C41 26CG 4.528 25C41 24CA 4.533 25C41 161O 4.584 25C41 65CA 4.716 25C41 26NE1 4.762 25C41 26CA 4.764 25N42 275OH 3.989 25N42 161O 4.257 25N42 66N 4.573 25N42 66O 4.641 25N42 65CA 4.726 25N42 161C 4.818 25N42 160O 4.862 25N42 161CA 4.871

TABLE XXII Table of distances in Ångstroms between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor 2,2′-N,N′-bis-benzyloxycarbonyl-L-leucinylcarbohydrazide. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. 25C1 184CB 4.217 25C1 184O 4.458 25C1 184CG 4.534 25C1 184CD2 4.719 25C1 184CE3 4.742 25C1 188CD1 4.982 25C2 184O 3.589 25C2 184CB 3.931 25C2 18OD1 4.344 25C2 184C 4.365 25C2 184CA 4.384 25C2 184CG 4.474 25C3 18OD1 3.467 25C3 184CB 3.731 25C3 184O 3.805 25C3 184CA 3.925 25C3 184CG 4.004 25C3 184C 4.224 25C3 184CD1 4.243 25C3 18CG 4.424 25C3 18ND2 4.653 25C3 184CD2 4.783 25C3 20O 4.954 25C4 184CG 3.557 25C4 184CD1 3.557 25C4 184CB 3.839 25C4 184NE1 4.069 25C4 184CD2 4.096 25C4 184CA 4.267 25C4 18OD1 4.278 25C4 184CE2 4.376 25C4 20O 4.406 25C4 184O 4.793 25C4 184CE3 4.895 25C4 184C 4.990 25C5 184CG 3.622 25C5 184CD2 3.653 25C5 184CD1 3.870 25C5 184CE2 3.925 25C5 184NE1 4.046 25C5 184CB 4.116 25C5 184CE3 4.153 25C5 184CZ2 4.632 25C5 184CZ3 4.798 25C5 184CA 4.969 25C6 184CD2 4.011 25C6 184CE3 4.065 25C6 184CG 4.134 25C6 184CB 4.303 25C6 184CE2 4.616 25C6 184CZ3 4.700 25C6 184CD1 4.765 25C7 20O 3.159 25C7 184CD1 3.353 25C7 19CG 3.702 25C7 184NE1 3.716 25C7 184CG 3.910 25C7 20C 4.053 25C7 20N 4.098 25C7 18OD1 4.206 25C7 19CD 4.236 25C7 20CA 4.370 25C7 184CE2 4.426 25C7 184CB 4.474 25C7 19NE2 4.497 25C7 184CD2 4.546 25C7 184CA 4.592 25C7 183O 4.805 25C7 19OE1 4.886 25C7 19C 4.994 25O8 20O 2.990 25O8 20C 4.056 25O8 184NE1 4.178 25O8 184CD1 4.264 25O8 19CG 4.312 25O8 19NE2 4.344 25O8 19CD 4.511 25O8 184CE2 4.748 25O8 20CA 4.839 25O8 20N 4.842 25O8 184CG 4.873 25O8 21N 4.938 25O8 21CA 4.989 25C9 20O 3.137 25C9 19NE2 3.361 25C9 19CD 3.886 25C9 19CG 4.087 25C9 184NE1 4.190 25C9 20C 4.350 25C9 22O 4.421 25C9 184CD1 4.624 25C9 19OE1 4.690 25C9 22N 4.828 25C9 184CE2 4.870 25C9 21CA 4.905 25C9 21OE1 4.986 25O10 20O 2.532 25O10 19NE2 2.700 25O10 22O 3.220 25O10 19CD 3.446 25O10 19CG 3.596 25O10 22N 3.702 25O10 20C 3.735 25O10 22C 3.951 25O10 21CA 4.210 25O10 21C 4.416 25O10 21N 4.441 25O10 19OE1 4.463 25O10 22CA 4.519 25O10 19CB 4.714 25O10 20N 4.734 25O10 23N 4.741 25O10 20CA 4.838 25O10 184NE1 4.848 25O10 21OE1 4.906 25O10 23CA 4.996 25C11 19NE2 3.727 25C11 19CD 4.636 25C11 184NE1 4.779 25C11 22O 4.911 25C12 19NE2 3.752 25C12 22O 4.028 25C12 23CA 4.150 25C12 22C 4.246 25C12 23N 4.275 25C12 224OH2 4.684 25C12 22N 4.779 25C12 19CD 4.925 25C12 20O 4.975 25C13 21OE1 4.156 25C13 22N 4.627 25C13 22C 4.667 25C13 23N 4.712 25C13 22O 4.742 25C13 21C 4.914 25C13 23CA 4.953 25C14 22N 3.473 25C14 21C 3.659 25C14 22C 3.759 25C14 21OE1 3.793 25C14 23N 3.863 25C14 22CA 3.868 25C14 21CA 4.095 25C14 21O 4.118 25C14 22O 4.147 25C14 23CA 4.513 25C14 20O 4.765 25C14 21CB 4.851 25C14 21CD 4.885 25C15 21OE1 3.260 25C15 21CD 4.221 25C15 21NE2 4.65O 25C15 21CA 4.882 25C15 20O 4.924 25C16 19NE2 3.267 25C16 19CD 4.074 25C16 162ND1 4.145 25C16 19OE1 4.238 25C16 162CE1 4.291 25C16 184NE1 4.295 25C16 184CZ2 4.540 25C16 184CE2 4.778 25C16 25SG 4.792 25C16 23CA 4.932 25C16 22O 4.976 25O17 19NE2 3.075 25O17 184NE1 3.183 25O17 162CE1 3.232 25O17 162ND1 3.349 25O17 19OE1 3.394 25O17 19CD 3.490 25O17 184CZ2 3.632 25O17 184CE2 3.732 25O17 162NE2 4.167 25O17 162CG 4.366 25O17 184CD1 4.379 25O17 25CB 4.553 25O17 25SG 4.612 25O17 19CG 4.742 25O17 162CD2 4.779 25O17 184CH2 4.923 25N18 19NE2 3.859 25N18 25SG 4.056 25N18 162ND1 4.100 25N18 161O 4.319 25N18 23CA 4.407 25N18 224OH2 4.562 25N18 162CE1 4.601 25N18 19CD 4.788 25N18 25CB 4.834 25N18 19OE1 4.862 25N19 25SG 2.787 25N19 162ND1 3.174 25N19 161O 3.363 25N19 25CB 3.873 25N19 162CE1 3.953 25N19 162CA 4.146 25N19 162CG 4.165 25N19 19NE2 4.334 25N19 162CB 4.414 25N19 161C 4.448 25N19 23CA 4.774 25N19 162N 4.806 25N19 19OE1 4.807 25N19 224OH2 4.923 25N20 19NE2 3.800 25N20 184NE1 4.071 25N20 19CD 4.420 25N20 20O 4.457 25N20 184CE2 4.475 25N20 184CZ2 4.573 25N20 184CD1 4.849 25N20 19OE1 4.977 25N20 19CG 4.982 25C21 25SG 1.799 25C21 25CB 3.030 25C21 25N 3.707 25C21 162ND1 3.784 25C21 23CA 3.850 25C21 23C 3.907 25C21 23O 3.946 25C21 25CA 3.958 25C21 19NE2 4.007 25C21 161O 4.284 25C21 162CE1 4.379 25C21 224OH2 4.436 25C21 24N 4.507 25C21 19OE1 4.543 25C21 162CA 4.728 25C21 19CD 4.730 25C21 26N 4.758 25C21 25C 4.830 25C21 24C 4.870 25C21 162CG 4.947 25C21 163N 4.989 25O22 25SG 2.443 25O22 19NE2 2.871 25O22 25CB 2.954 25O22 23CA 3.128 25O22 25N 3.144 25O22 23C 3.258 25O22 25CA 3.641 25O22 24N 3.649 25O22 23O 3.656 25O22 19CD 3.696 25O22 19OE1 3.727 25O22 22O 4.038 25O22 162ND1 4.175 25O22 24C 4.265 25O22 23N 4.327 25O22 162CE1 4.422 25O22 224OH2 4.423 25O22 24CA 4.529 25O22 22C 4.622 25O22 25C 4.800 25O22 26N 4.898 25O23 61OD1 3.673 25C23 59O 3.735 25C23 67CE2 4.205 25O23 67CD2 4.463 25C23 264OH2 4.473 25C23 61CG 4.499 25O23 61OD2 4.706 25C23 59C 4.887 25C24 59O 3.179 25C24 61OD1 3.691 25C24 67CD2 3.717 25C24 60ND2 3.736 25C24 67CE2 3.832 25C24 60CA 3.942 25C24 59C 4.226 25C24 61CG 4.362 25C24 66CA 4.399 25C24 60C 4.521 25C24 61N 4.525 25C24 60N 4.567 25C24 70OD1 4.595 25C24 61OD2 4.702 25C24 60CG 4.710 25C24 6OCB 4.837 25C24 67N 4.915 25C24 66C 4.929 25C24 65O 4.975 25C24 67CG 4.986 25C25 66CA 3.301 25C25 61OD1 3.379 25C25 67CD2 3.477 25C25 67CE2 3.538 25C25 60ND2 3.834 25C25 66N 3.859 25C25 65O 3.860 25C25 66C 3.977 25C25 65C 4.082 25C25 60CA 4.110 25C25 61CG 4.139 25C25 61N 4.153 25C25 59O 4.235 25C25 67N 4.302 25C25 60C 4.526 25C25 60CG 4.585 25C25 66O 4.675 25C25 60CB 4.701 25C25 61CB 4.755 25C25 67CG 4.785 25C25 61OD2 4.825 25C25 67CZ 4.879 25C26 61OD1 3.031 25C26 67CE2 3.662 25C26 66CA 3.882 25C26 66N 3.954 25C26 65O 4.020 25C26 65C 4.027 25C26 67CD2 4.058 25C26 61CG 4.066 25C26 66C 4.566 25C26 61CB 4.672 25C26 61N 4.764 25C26 67CZ 4.811 25C26 65CA 4.818 25C26 61OD2 4.956 25C26 66O 4.959 25C27 61OD1 3.004 25C27 67CE2 4.045 25C27 61CG 4.208 25C27 67CD2 4.744 25C27 61OD2 4.951 25C27 67OH 4.988 25C28 61OD1 3.343 25C28 67CE2 4.306 25C28 61CG 4.423 25C28 264OH2 4.506 25C28 61OD2 4.829 25C28 67CD2 4.927 25C29 66N 3.077 25C29 65C 3.103 25C29 65O 3.481 25C29 66CA 3.531 25C29 65CA 3.578 25C29 61OD1 3.662 25C29 67CE2 4.189 25C29 64O 4.192 25C29 66C 4.265 25C29 66O 4.382 25C29 65N 4.522 25C29 67CD2 4.589 25C29 61CG 4.593 25C29 64C 4.738 25C29 61CB 4.762 25O30 66N 3.458 25O30 67CE2 3.803 25O30 65C 3.840 25O30 66O 4.008 25O30 66CA 4.009 25O30 65CA 4.053 25O30 66C 4.287 25O30 67CD2 4.421 25O30 67CZ 4.431 25O30 67OH 4.470 25O30 65O 4.551 25O30 64O 4.750 25C31 66N 3.498 25C31 65CA 3.654 25C31 65C 3.885 25C31 66O 4.018 25C31 66CA 4.416 25C31 64O 4.463 25C31 66C 4.608 25C31 65O 4.872 25C31 67CE2 4.874 25C31 65N 4.883 25O32 65CA 3.690 25O32 64O 3.833 25O32 66N 4.273 25O32 65C 4.343 25O32 64C 4.667 25O32 65N 4.681 25C33 66O 3.876 25C33 66N 4.173 25C33 161O 4.383 25C33 65CA 4.417 25C33 161C 4.670 25C33 25SG 4.802 25C33 65C 4.843 25C33 66C 4.902 25C34 66O 3.833 25C34 161C 4.228 25C34 161O 4.287 25C34 162N 4.305 25C34 163N 4.452 25C34 162CA 4.613 25C34 162C 4.644 25C34 25SG 4.656 25C34 161CA 4.669 25C34 163CB 4.789 25C34 66N 4.994 25C35 66O 2.981 25C35 66C 4.208 25C35 163CB 4.767 25C35 26CB 4.871 25C35 66N 4.887 25C35 67CA 4.934 25C35 209CD2 4.958 25C35 68SD 4.962 25C35 67CD1 4.992 25C35 67CE1 5.000 25C36 66O 3.430 25C36 68SD 3.532 25C36 163CB 3.585 25C36 163CA 4.250 25C36 134CB 4.328 25C36 163N 4.364 25C36 26CB 4.411 25C36 68CE 4.444 25C36 209CD2 4.518 25C36 66C 4.580 25C36 67CA 4.718 25C36 162C 4.845 25C36 26CX 4.975 25C37 66O 3.900 25C37 67CE1 4.120 25C37 209CD2 4.133 25C37 67CZ 4.304 25C37 67CD1 4.472 25C37 67OH 4.559 25C37 160O 4.722 25C37 67CE2 4.812 25C37 134CB 4.928 25C37 67CG 4.960 25C38 65CA 3.685 25C38 25SG 3.703 25C38 66N 3.862 25C38 66O 4.169 25C38 26CD1 4.241 25C38 65C 4.328 25C38 23O 4.331 25C38 161O 4.500 25C38 224OH2 4.706 25C38 26CB 4.746 25C38 65N 4.855 25C38 26CG 4.876 25O39 66N 2.954 25O39 26CD1 3.044 25O39 65CA 3.072 25O39 65C 3.468 25O39 66O 3.555 25O39 23O 3.635 25O39 26CG 3.715 25O39 26CB 3.796 25O39 25SG 3.860 25O39 26NE1 4.093 25O39 66CA 4.102 25O39 66C 4.239 25O39 65N 4.292 25O39 26N 4.359 25O39 65O 4.668 25O39 23C 4.669 25O39 26CX 4.689 25O39 224OH2 4.850 25O39 26CD2 4.970 25N40 25SG 3.113 25N40 161O 3.678 25N40 224OH2 4.045 25N40 23O 4.202 25N40 65CA 4.334 25N40 161C 4.525 25N40 23C 4.779 25N40 23CA 4.821 25N40 162CA 4.878 25N40 25CB 4.902 25N40 26CD1 4.925 25N41 25SG 2.621 25N41 23O 3.122 25N41 224OH2 3.404 25N41 23C 3.447 25N41 23CA 3.458 25N41 25CB 4.118 25N41 25N 4.161 25N41 24N 4.403 25N41 65CA 4.453 25N41 161O 4.531 25N41 26CD1 4.572 25N41 25CA 4.709 25N41 26N 4.861 25N41 23N 4.898 25N42 66O 3.140 25N42 66N 3.340 25N42 65CA 3.978 25N42 66C 4.005 25N42 65C 4.084 25N42 66CA 4.168 25N42 67CE2 4.883

TABLE XXIII Table of distances in Ångstroms between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor (1S)-N-[2-[(1-benzyloxycarbonylamino)-3- methylbutyl]thiazol-4-ylcarbonyl]-N′-(N-benzyloxycarbonyl-L- leucinyl)hydrazide. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. 25C1 184CB 4.236 25C1 184CG 4.418 25C1 184O 4.425 25C1 184CD2 4.593 25C1 184CE3 4.660 25C1 188CD1 4.721 25C2 184O 3.268 25C2 184CB 3.689 25C2 184C 4.080 25C2 184CG 4.182 25C2 184CA 4.182 25C2 184CD2 4.784 25C2 184CD1 4.821 25C2 18ND2 4.999 25C3 184O 3.481 25C3 184CB 3.729 25C3 184CA 3.863 25C3 184C 3.967 25C3 18OD1 4.001 25C3 184CG 4.006 25C3 184CD1 4.249 25C3 18ND2 4.280 25C3 18CG 4.516 25C3 184CD2 4.834 25C4 184CD1 4.005 25C4 184CG 4.080 25C4 184CB 4.302 25C4 18OD1 4.440 25C4 20O 4.528 25C4 184CA 4.558 25C4 184NE1 4.584 25C4 184CD2 4.705 25C4 184O 4.729 25C4 184CE2 4.985 25C5 184CG 4.312 25C5 184CD1 4.376 25C5 184CD2 4.504 25C5 184NE1 4.612 25C5 184CE2 4.694 25C5 184CB 4.766 25C5 21NE2 4.820 25C6 184CD2 4.450 25C6 184CG 4.480 25C6 184CE3 4.643 25C6 184CB 4.744 25C6 143OE1 4.804 25C6 184CE2 4.925 25C6 184CD1 4.935 25C7 20O 3.040 25C7 20C 3.594 25C7 2OCA 3.795 25C7 20N 3.853 25C7 18OD1 3.864 25C7 184CD1 4.135 25C7 19CG 4.463 25C7 21NE2 4.595 25C7 21N 4.617 25C7 184NE1 4.641 25C7 184CG 4.659 25C7 18CG 4.887 25C7 19C 4.937 25C7 184CA 4.958 25O8 20O 2.667 25O8 19CG 3.422 25O8 184CD1 3.450 25O8 20C 3.631 25O8 184NE1 3.675 25O8 20N 3.871 25O8 19CD 3.993 25O8 2OCA 4.102 25O8 19OE1 4.232 25O8 184CG 4.325 25O8 18OD1 4.411 25O8 184CE2 4.622 25O8 19C 4.642 25O8 21N 4.725 25O8 19CB 4.727 25O8 19NE2 4.771 25O8 183O 4.826 25O8 184CD2 4.974 25C9 20O 3.188 25C9 184NE1 3.536 25C9 184CD1 3.844 25C9 19CG 4.035 25C9 19CD 4.106 25C9 19OE1 4.229 25C9 20C 4.321 25C9 184CE2 4.325 25C9 19NE2 4.650 25C9 184CG 4.743 25C9 184CZ2 4.957 25C9 21NE2 4.999 25O10 184NE1 3.675 25O10 184CE2 4.068 25O10 184CD1 4.137 25O10 20O 4.244 25O10 184CZ2 4.481 25O10 184CD2 4.713 25O10 184CG 4.754 25O10 21NE2 4.824 25C11 19NE2 4.159 25C11 220 4.229 25C11 19CD 4.273 25C11 20O 4.296 25C11 19OE1 4.447 25C11 184NE1 4.589 25C11 22C 4.735 25C11 23CA 4.867 25C11 19CG 4.868 25C11 22N 4.974 25C11 23N 4.979 25C12 22O 3.890 25C12 22C 3.995 25C12 22N 4.110 25C12 23N 4.111 25C12 23CA 4.306 25C12 20O 4.346 25C12 21C 4.588 25C12 22CA 4.594 25C12 21OE1 4.629 25C12 21CA 4.715 25C12 19NE2 4.762 25C13 21OE1 3.498 25C13 21CD 4.390 25C13 21CA 4.587 25C13 22N 4.615 25C13 21C 4.659 25C13 20O 4.898 25C13 21NE2 4.928 25C14 21OE1 2.922 25C14 21C 3.654 25C14 21CA 3.785 25C14 22N 3.919 25C14 21CD 3.931 25C14 21O 3.962 25C14 21CB 4.117 25C14 22CA 4.561 25C14 21CG 4.659 25C14 22C 4.749 25C14 21NE2 4.841 25C14 23N 4.886 25C14 20O 4.941 25C15 21OE1 2.917 25C15 21CD 3.612 25C15 21NE2 3.794 25C15 21CA 4.698 25C15 20O 4.791 25C15 21CG 4.892 25C16 19NE2 3.649 25C16 19OE1 3.851 25C16 19CD 3.913 25C16 23CA 4.390 25C16 184NE1 4.396 25C16 22O 4.401 25C16 162ND1 4.744 25C16 19CG 4.960 25C16 23N 4.963 25C16 22C 4.981 25C16 184CZ2 4.990 25S17 162ND1 3.565 25S17 184CZ2 3.585 25517 184NE1 3.699 25S17 162CE1 3.945 25S17 19OE1 3.950 25S17 184CE2 3.994 25S17 162CG 4.327 25S17 19CD 4.502 25S17 19NE2 4.573 25S17 162CB 4.756 25S17 184CH2 4.771 25S17 162NE2 4.811 25S17 184CD1 4.996 25N18 19NE2 3.269 25N18 23CA 3.310 25N18 19CD 3.941 25N18 22O 3.976 25N18 19OE1 4.019 25N18 23C 4.156 25N18 25SG 4.177 25N18 23N 4.187 25N18 22C 4.455 25N18 25CB 4.460 25N18 24N 4.557 25N18 162ND1 4.710 25N18 25N 4.758 25N18 23O 4.840 25C19 25SG 3.024 25C19 25CB 3.565 25C19 19NE2 3.784 25C19 162ND1 3.801 25C19 23CA 3.948 25C19 19OE1 4.215 25C19 1610 4.243 25C19 19CD 4.411 25C19 25N 4.416 25C19 23C 4.434 25C19 162CE1 4.494 25C19 25CA 4.626 25C19 23O 4.822 25C19 162CG 4.842 25C19 24N 4.896 25C19 162CA 4.932 25N20 20O 3.090 25N20 19CD 3.488 25N20 19NE2 3.690 25N20 19CG 3.707 25N20 19OE1 3.805 25N20 22O 3.918 25N20 184NE1 3.976 25N20 20C 4.316 25N20 184CD1 4.488 25N20 22N 4.551 25N20 22C 4.673 25N20 21CA 4.853 25N20 184CE2 4.906 25N20 19CB 4.997 25C21 162ND1 2.861 25C21 25SG 3.627 25C21 162CE1 3.661 25C21 162CG 3.744 25C21 1610 3.811 25C21 25CB 3.895 25C21 162CB 3.972 25C21 19OE1 4.135 25C21 162CA 4.169 25C21 19NE2 4.408 25C21 19CD 4.664 25C21 162NE2 4.724 25C21 161C 4.759 25C21 184CZ2 4.788 25C21 162CD2 4.789 25C21 184NE1 4.807 25C21 162N 4.963 25C22 25SG 1.806 25C22 25CB 3.017 25C22 25N 3.658 25C22 23CA 3.756 25C22 23C 3.777 25C22 23O 3.783 25C22 25CA 3.942 25C22 1610 4.202 25C22 19NE2 4.263 25C22 24N 4.389 25C22 162ND1 4.411 25C22 26N 4.767 25C22 24C 4.797 25C22 25C 4.896 25C22 162CA 4.914 25C22 26CD1 4.985 25O23 25SG 2.263 25O23 23C 2.724 25O23 25N 2.817 25O23 23CA 2.863 25O23 23O 2.953 25O23 25CB 2.966 25O23 24N 3.216 25O23 19NE2 3.371 25O23 25CA 3.468 25O23 24C 3.844 25O23 24CA 4.001 25O23 23N 4.229 25O23 22O 4.346 25O23 19CD 4.418 25O23 26N 4.527 25O23 25C 4.570 25O23 19OE1 4.594 25O23 26CD1 4.647 25O23 22C 4.750 25O23 162ND1 4.926 25O23 24O 4.984 25C24 64O 4.232 25C24 61OD1 4.886 25C25 64O 2.914 25C25 61OD1 4.012 25C25 64C 4.121 25C25 65CA 4.508 25C25 61CG 4.803 25C25 65N 4.812 25C26 64O 3.004 25C26 61OD1 3.284 25C26 65CA 3.778 25C26 65C 4.006 25C26 64C 4.052 25C26 66N 4.292 25C26 61CG 4.320 25C26 65N 4.406 25C26 65O 4.498 25C26 61CB 4.929 25C27 61OD1 3.654 25C27 64O 4.372 25C27 66N 4.515 25C27 67CE2 4.579 25C27 65C 4.592 25C27 65CA 4.693 25C27 61CG 4.839 25C27 67OH 4.900 25C28 61OD1 4.602 25C28 67OH 4.614 25C28 67CE2 4.849 25C30 67CE2 3.326 25C30 66N 3.711 25C30 61OD1 3.817 25C30 66CA 3.888 25C30 67CD2 3.908 25C30 67CZ 4.039 25C30 65C 4.143 25C30 67OH 4.216 25C30 66C 4.303 25C30 66O 4.459 25C30 65O 4.648 25C30 65CA 4.662 25C30 67CG 4.980 25O31 67CE2 2.958 25O31 67CZ 3.233 25O31 67OH 3.437 25O31 67CD2 3.606 25O31 66O 3.722 25O31 66N 3.758 25O31 66C 3.942 25O31 66CA 3.994 25O31 67CE1 4.053 25O31 67CG 4.365 25O31 65C 4.521 25O31 67CD1 4.543 25O31 67N 4.754 25O31 65CA 4.909 25C32 66O 3.869 25C32 66N 3.875 25C32 67CZ 4.120 25C32 67OH 4.127 25C32 67CE2 4.188 25C32 66C 4.431 25C32 66CA 4.512 25C32 65CA 4.559 25C32 65C 4.577 25C32 67CE1 4.683 25C32 67CD2 4.797 25O33 67OH 4.349 25O33 67CZ 4.706 25O33 66N 4.896 25O33 67CE2 4.948 25O33 160O 4.987 25C34 66O 3.926 25C34 66N 4.154 25C34 161O 4.291 25C34 65CA 4.393 25C34 161C 4.680 25C34 25SG 4.728 25C34 160O 4.762 25C34 65C 4.835 25C34 66C 4.889 25C35 1610 3.923 25C35 160C 3.934 25C35 161C 3.950 25C35 66O 4.195 25C35 162N 4.296 25C35 161CA 4.330 25C35 163N 4.545 25C35 160C 4.652 25C35 25SG 4.661 25C35 162CA 4.717 25C35 161N 4.821 25C35 162C 4.844 25C36 66O 3.516 25C36 163CB 3.928 25C36 163N 4.123 25C36 163CA 4.451 25C36 134CB 4.614 25C36 162C 4.695 25C36 66C 4.739 25C36 25SG 4.777 25C36 160O 4.790 25C36 68SD 4.793 25C36 162N 4.890 25C36 161C 4.930 25C36 26CB 4.984 25C37 66O 3.229 25C37 67CD1 3.782 25C37 67CE1 3.814 25C37 209CD2 4.109 25C37 66C 4.351 25C37 134CB 4.449 25C37 67CG 4.461 25C37 67CZ 4.520 25C37 67CA 4.594 25C37 68SD 4.609 25C37 163CB 4.822 25C37 68CE 4.913 25C37 67N 4.944 25C37 160O 4.999 25C38 66O 2.883 25C38 163CB 3.258 25C38 26CB 3.517 25C38 25SG 3.915 25C38 163N 4.010 25C38 66C 4.045 25C38 26CA 4.069 25C38 26N 4.161 25C38 163CA 4.178 25C38 68SD 4.184 25C38 26CG 4.396 25C38 26CD1 4.512 25C38 66N 4.558 25C38 61CA 4.916 25C38 67N 4.916 25C38 66CA 4.920 25C38 162C 4.937 25C39 65CA 3.532 25C39 25SG 3.557 25C39 66N 3.788 25C39 66O 4.161 25C39 1610 4.207 25C39 65C 4.218 25C39 26CD1 4.481 25C39 65N 4.664 25C39 161C 4.925 25C39 23O 4.951 25C39 66CA 4.972 25O40 66N 2.864 25O40 65CA 2.895 25O40 26CD1 3.289 25O40 65C 3.326 25O40 25SG 3.487 25O40 66O 3.497 25O40 66CA 4.034 25O40 26CG 4.074 25O40 65N 4.098 25O40 26NE1 4.177 25O40 66C 4.186 25O40 23O 4.205 25O40 26CB 4.291 25O40 65O 4.516 25O40 26N 4.644 25N41 25SG 3.236 25N41 161O 3.370 25N41 65CA 4.079 25N41 161C 4.343 25N41 23O 4.777 25N41 65N 4.879 25N41 66N 4.926 25N42 25SG 2.820 25N42 23O 3.597 25N42 23CA 3.792 25N42 23C 3.925 25N42 65CA 4.086 25N42 161O 4.156 25N42 25CB 4.397 25N42 65N 4.514 25N42 25N 4.705 25N42 26CD1 4.802 25N42 24N 4.905 25N43 66O 3.027 25N43 66N 3.312 25N43 66C 3.828 25N43 66CA 4.057 25N43 65CA 4.128 25N43 65C 4.171 25N43 67CZ 4.741 25N43 67CE2 4.807 25N43 67CE1 4.973 25N43 67N 4.980

TABLE XXIV Table of distances in Ångstroms between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor 2-[N-(3-benzyloxybenzoyl)]-2′-[N′-(N- benzyloxycarbonyl-L-leucinyl)]carbohydrazide. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. 25C1 241OH2 3.570 25C1 184CD1 3.752 25C1 184CB 3.771 25C1 184CG 3.795 25C1 184O 3.855 25C1 18OD1 3.918 25C1 184CA 3.940 25C1 18ND2 4.077 25C1 184C 4.295 25C1 18CG 4.335 25C1 20O 4.526 25C1 184NE1 4.545 25C1 184CD2 4.638 25C2 18OD1 2.991 25C2 184CD1 3.364 25C2 184CA 3.673 25C2 20O 3.682 25C2 18CG 3.691 25C2 184CG 3.828 25C2 20N 3.856 25C2 18ND2 3.872 25C2 184CB 3.927 25C2 184O 4.146 25C2 19CG 4.202 25C2 184C 4.236 25C2 184NE1 4.236 25C2 183O 4.241 25C2 20CA 4.325 25C2 20C 4.444 25C2 19N 4.506 25C2 184N 4.779 25C2 241OH2 4.781 25C2 19C 4.859 25C2 184CD2 4.882 25C2 183C 4.942 25C2 18CB 4.966 25C3 20O 2.766 25C3 184CD1 3.449 25C3 19CG 3.485 25C3 20N 3.566 25C3 18OD1 3.700 25C3 20C 3.715 25C3 184NE1 3.945 25C3 20CA 3.980 25C3 19CD 4.274 25C3 184CG 4.298 25C3 19C 4.413 25C3 183O 4.573 25C3 19N 4.586 25C3 184CA 4.627 25C3 19CB 4.636 25C3 18CG 4.663 25C3 19CA 4.734 25C3 19NE2 4.739 25C3 184CB 4.805 25C3 19OE1 4.890 25C3 21N 4.941 25C3 184CE2 4.965 25C4 20O 2.926 25C4 184CD1 3.912 25C4 184NE1 3.991 25C4 20C 4.103 25C4 19CG 4.382 25C4 20N 4.662 25C4 184CG 4.708 25C4 20CA 4.787 25C4 19CD 4.799 25C4 184CE2 4.822 25C4 18OD1 4.987 25C4 241OH2 4.989 25C4 19NE2 4.989 25C5 241OH2 3.832 25C5 20O 3.929 25C5 184CD1 4.241 25C5 184NE1 4.312 25C5 184CG 4.671 25C5 184CE2 4.778 25C5 184CD2 4.987 25C6 241OH2 2.940 25C6 184CD1 4.176 25C6 184CG 4.243 25C6 184CB 4.555 25C6 184NE1 4.583 25C6 20O 4.631 25C6 184CD2 4.694 25C6 184CE2 4.889 25C7 20O 2.932 25C7 20C 4.097 25C7 19NE2 4.319 25C7 19CG 4.452 25C7 184NE1 4.478 25C7 19CD 4.533 25C7 21CA 4.627 25C7 22O 4.737 25C7 184CD1 4.756 25C7 21N 4.840 25C7 21C 4.925 25O8 19NE2 3.416 25O8 19CD 3.782 25O8 184NE1 3.951 25O8 20O 4.046 25O8 19CG 4.180 25O8 19OE1 4.351 25O8 22O 4.445 25O8 184CD1 4.559 25O8 184CE2 4.877 25C9 19NE2 4.211 25C9 184NE1 4.403 25C9 19CD 4.724 25C11 162ND1 4.502 25C11 184CZ2 4.687 25C11 162CE1 4.868 25C14 162ND1 3.357 25C14 162CG 3.831 25C14 162CB 4.001 25C14 162CE1 4.036 25C14 162CA 4.368 25C14 161O 4.489 25C14 184CZ2 4.614 25C14 162CD2 4.682 25C14 161OD1 4.720 25C14 162N 4.758 25C14 162NE2 4.766 25C14 161C 4.794 25C14 25SG 4.940 25O15 162CB 3.130 25O15 162ND1 3.165 25O15 162CG 3.174 25O15 161OD1 3.790 25O15 162CA 3.794 25O15 162CE1 3.969 25O15 162CD2 4.004 25O15 162N 4.125 25O15 184CZ2 4.191 25O15 162NE2 4.407 25O15 161C 4.425 25O15 161O 4.436 25O15 137CB 4.597 25O15 161CG 4.704 25O15 137O 4.758 25O15 161CB 4.862 25O15 184CH2 4.953 25N16 162ND1 3.293 25N16 25SG 3.828 25N16 161O 3.898 25N16 162CE1 4.030 25N16 162CG 4.119 25N16 162CA 4.252 25N16 162CB 4.323 25N16 161C 4.537 25N16 25CB 4.583 25N16 162N 4.723 25N16 19NE2 4.776 25N17 25SG 2.713 25N17 161O 2.829 25N17 162ND1 2.962 25N17 162CA 3.321 25N17 161C 3.640 25N17 162CG 3.800 25N17 162CB 3.840 25N17 162N 3.876 25N17 25CB 3.878 25N17 162CE1 3.946 25N17 163N 4.346 25N17 162C 4.395 25N17 161CA 4.922 25N17 162CD2 4.988 25C18 184NE1 4.080 25C18 19NE2 4.103 25C18 184CZ2 4.414 25C18 162ND1 4.448 25C18 162CE1 4.452 25C18 19CD 4.549 25C18 19OE1 4.597 25C18 184CE2 4.604 25C19 25SG 1.793 25C19 25CB 3.071 25C19 161O 3.652 25C19 162ND1 3.659 25C19 25N 4.072 25C19 25CA 4.137 25C19 23O 4.303 25C19 162CE1 4.350 25C19 162CA 4.352 25C19 19NE2 4.435 25C19 23C 4.511 25C19 163N 4.621 25C19 23CA 4.646 25C19 161C 4.687 25C19 162CG 4.766 25C19 19OE1 4.843 25C19 25C 4.879 25C19 26N 4.949 25O20 25SG 2.529 25O20 25CB 3.171 25O20 19NE2 3.371 25O20 23CA 3.588 25O20 23C 3.681 25O20 25N 3.725 25O20 23O 3.770 25O20 162ND1 4.071 25O20 25CA 4.076 25O20 19OE1 4.231 25O20 19CD 4.248 25O20 24N 4.306 25O20 162CE1 4.450 25O20 161O 4.781 25O20 24C 4.875 25O20 23N 4.969 25C21 160CD1 3.590 25C21 158O 3.615 25C21 160CG 3.707 25C21 160CB 3.983 25C21 160N 4.442 25C21 158C 4.580 25C21 160CA 4.835 25C22 160CD1 3.593 25C22 160CG 4.157 25C22 160CB 4.282 25C22 209CD2 4.511 25C22 209CD1 4.980 25C22 158O 4.986 25C23 160CD1 4.157 25C23 209CD2 4.159 25C23 67CE1 4.205 25C23 160CB 4.279 25C23 160O 4.519 25C23 67OH 4.588 25C23 160CG 4.625 25C23 67CZ 4.894 25C24 160O 3.474 25C24 160CB 3.993 25C24 160C 4.419 25C24 160CA 4.596 25C24 160N 4.617 25C24 160CD1 4.665 25C24 160CG 4.704 25C24 67CE1 4.808 25C24 67OH 4.862 25C25 160O 3.271 25C25 160N 3.593 25C25 160CB 3.664 25C25 158O 3.952 25C25 160CA 3.958 25C25 160C 3.985 25C25 160CG 4.302 25C25 160CD1 4.653 25C25 159C 4.710 25C25 159CA 4.972 25C25 158C 4.995 25C26 158O 2.899 25C26 160N 3.477 25C26 160CB 3.661 25C26 160CG 3.791 25C26 158C 3.973 25C26 160CA 4.096 25C26 160CD1 4.159 25C26 160O 4.202 25C26 159C 4.497 25C26 159CA 4.565 25C26 160C 4.606 25C26 159N 4.714 25C26 158CA 4.955 25C27 160O 3.338 25C27 67OH 4.363 25C27 67CE1 4.376 25C27 160C 4.512 25C27 67CZ 4.684 25C27 160CB 4.754 25O28 160O 2.420 25O28 160C 3.644 25O28 161CA 4.394 25O28 160CB 4.473 25O28 161N 4.476 25O28 160CA 4.624 25O28 161O 4.916 25O28 161C 4.988 25C29 160O 3.266 25C29 160C 4.372 25C29 161O 4.438 25C29 161CA 4.632 25C29 161C 4.791 25C29 66O 4.888 25C29 67CE1 4.893 25C29 161N 4.959 25O30 67CE1 3.985 25O30 66O 4.035 25O30 67CD1 4.256 25O30 67CZ 4.313 25O30 160O 4.446 25O30 66C 4.682 25O30 67OH 4.687 25O30 67CG 4.823 25O30 67CE2 4.858 25C31 161O 3.206 25C31 161C 3.941 25C31 66O 3.994 25C31 163CB 4.458 25C31 163N 4.486 25C31 25SG 4.527 25C31 160O 4.531 25C31 161CA 4.598 25C31 162N 4.697 25C31 162C 4.753 25C31 162CA 4.857 25C32 66O 2.742 25C32 66C 3.901 25C32 163CB 4.205 25C32 26CB 4.317 25C32 66N 4.512 25C32 67CA 4.651 25C32 161O 4.691 25C32 67N 4.724 25C32 68SD 4.771 25C32 66CA 4.830 25C33 66O 3.447 25C33 68SD 3.722 25C33 163CB 3.798 25C33 209CD2 4.102 25C33 68CE 4.212 25C33 134CB 4.330 25C33 67CA 4.465 25C33 66C 4.538 25C33 67CD1 4.678 25C33 163CA 4.689 25C33 26CB 4.751 25C33 163N 4.950 25C34 134CB 3.099 25C34 163CB 3.583 25C34 209CD2 3.879 25C34 134CA 3.973 25C34 163CA 3.984 25C34 163N 4.154 25C34 68SD 4.317 25C34 162O 4.344 25C34 162C 4.346 25C34 68CE 4.364 25C34 160O 4.704 25C34 161O 4.819 25C34 66O 4.910 25C34 161C 4.924 25C34 1330 4.972 25C34 134C 4.977 25C34 134N 4.991 25C35 209CD2 3.174 25C35 67CD1 3.240 25C35 66O 3.588 25C35 67CA 3.813 25C35 67CE1 3.871 25C35 67CG 3.924 25C35 67CB 4.168 25C35 68SD 4.179 25C35 209CG 4.360 25C35 68CE 4.389 25C35 66C 4.393 25C35 234OH2 4.424 25C35 67N 4.535 25C35 134CB 4.642 25C35 68N 4.661 25C35 67C 4.803 25C35 67CZ 4.930 25C35 67CD2 4.976 25C36 161O 3.232 25C36 25SG 3.829 25C36 66O 4.065 25C36 161C 4.303 25C36 66N 4.338 25C36 65CA 4.529 25C36 26CD1 4.948 25C36 163N 4.963 25C36 26CB 5.000 25O37 66N 3.256 25O37 65CA 3.411 25O37 66O 3.590 25O37 65C 3.845 25O37 161O 4.314 25O37 66CA 4.368 25O37 66C 4.383 25O37 26CD1 4.400 25O37 25SG 4.578 25O37 65N 4.736 25O37 64O 4.804 25O37 26CB 4.911 25O37 26CG 4.987 25N38 161O 2.583 25N38 25SG 2.797 25N38 161C 3.765 25N38 162CA 4.301 25N38 163N 4.348 25N38 162N 4.497 25N38 25CB 4.579 25N38 162C 4.720 25N38 161CA 4.814 25N38 163CB 4.921 25N39 25SG 2.623 25N39 161O 3.421 25N39 23O 3.947 25N39 25CB 4.194 25N39 23C 4.527 25N39 161C 4.625 25N39 65CA 4.670 25N39 25N 4.673 25N39 23CA 4.780 25N39 25CA 4.961 25N39 162CA 4.964 25N40 160O 3.177 25N40 161O 3.216 25N40 161C 3.641 25N40 161CA 3.804 25N40 16OC 4.036 25N40 161N 4.304 25N40 162N 4.578 25N40 66O 4.918

TABLE XXV Table of distances in Ångstroms between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor 4-[N-[(phenylmethoxy)carbonyl)-L-leucyl]-1-[N- [(phenylmethoxy)carbonyl]-L-leucyl)-3-pyrrolidinone. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. 25C1 184O 4.017 25C1 184CD1 4.233 25C1 184CG 4.294 25C1 184CB 4.338 25C1 184CA 4.431 25C1 18OD1 4.581 25C1 184C 4.634 25C1 184NE1 4.872 25C1 184CD2 4.992 25C2 20O 3.689 25C2 20C 4.194 25C2 21NE2 4.254 25C2 184CD1 4.266 25C2 20N 4.386 25C2 20CA 4.394 25C2 19CG 4.696 25C2 18OD1 4.707 25C2 184NE1 4.731 25C2 184CG 4.742 25C2 184CA 4.975 25C3 20O 3.755 25C3 184CD1 4.039 25C3 184NE1 4.087 25C3 21NE2 4.111 25C3 20C 4.569 25C3 19CG 4.678 25C3 184CG 4.714 25C3 184CE2 4.790 25C3 19CD 4.992 25C4 184NE1 3.514 25C4 184CD1 3.761 25C4 184CE2 3.871 25C4 184CG 4.236 25C4 184CD2 4.302 25C4 184CZ2 4.446 25C4 21NE2 4.858 25C5 184CE2 3.679 25C5 184NE1 3.687 25C5 184CD2 3.688 25C5 184CD1 3.704 25C5 184CG 3.711 25C5 184CZ2 4.317 25C5 184CE3 4.332 25C5 184CB 4.417 25C5 184CH2 4.847 25C5 184CZ3 4.856 25C6 184CG 3.747 25C6 184CD1 3.955 25C6 184CB 3.964 25C6 184CD2 4.101 25C6 184O 4.262 25C6 184NE1 4.395 25C6 184CE2 4.487 25C6 184CA 4.531 25C6 184CE3 4.701 25C6 184C 4.882 25C7 184NE1 3.584 25C7 184CE2 3.808 25C7 184CZ2 3.945 25C7 184CD1 4.327 25C7 184CD2 4.651 25C7 184CH2 4.855 25C7 184CG 4.925 25O8 184NE1 3.393 25O8 184CE2 3.944 25O8 184CZ2 4.069 25O8 184CD1 4.312 25O8 19NE2 4.602 25O8 19CD 4.825 25C9 184NE1 3.291 25C9 184CZ2 3.627 25C9 184CE2 3.765 25C9 162ND1 3.949 25C9 162CE1 4.256 25C9 184CD1 4.478 25C9 19NE2 4.492 25C9 19OE1 4.778 25C9 19CD 4.791 25C9 184CH2 4.870 25O10 184NE1 2.688 25O10 162ND1 2.878 25O10 162CE1 3.073 25O10 184CE2 3.353 25O10 184CZ2 3.407 25O10 19OE1 3.804 25O10 184CD1 3.882 25O10 19NE2 3.911 25O10 19CD 4.053 25O10 162CG 4.083 25O10 162NE2 4.247 25O10 184CD2 4.680 25O10 184CH2 4.748 25O10 162CD2 4.767 25O10 162CB 4.822 25O10 25CB 4.894 25C10 184CG 4.921 25O10 25SG 4.959 25C11 161O 3.603 25C11 162ND1 3.785 25C11 162CB 4.170 25C11 162CG 4.352 25C11 184CZ2 4.547 25C11 161C 4.651 25C11 161OD1 4.678 25C11 162CE1 4.739 25C11 162CA 4.759 25C12 161O 3.598 25C12 161OD1 3.692 25C12 161CG 4.426 25C12 161C 4.497 25C12 162CB 4.500 25C12 161CB 4.644 25C12 162ND1 4.828 25C13 161OD1 3.668 25C13 137O 3.927 25C13 137C 4.080 25C13 138N 4.272 25C13 184CZ2 4.318 25C13 138CA 4.377 25C13 137CB 4.500 25C13 143NE2 4.527 25C13 161CG 4.603 25C13 161O 4.651 25C13 184CH2 4.656 25C13 162CB 4.732 25C13 137CA 4.757 25C14 143NE2 3.452 25C14 184CZ2 4.059 25C14 137O 4.191 25C14 184CH2 4.327 25C14 143CD 4.676 25C14 137C 4.726 25C14 138CA 4.757 25C14 138N 4.988 25C15 161OD1 3.025 25C15 138CA 3.182 25C15 138N 3.231 25C15 137C 3.477 25C15 138CB 3.598 25C15 137O 3.616 25C15 161CG 3.781 25C15 137CA 4.362 25C15 161ND2 4.367 25C15 137N 4.495 25C15 138C 4.523 25C15 137CB 4.599 25C15 143NE2 4.610 25C15 138OG 4.662 25C15 161CB 4.679 25C15 138O 4.905 25C15 161O 4.924 25C16 161O 3.101 25C16 162ND1 4.231 25C16 161C 4.310 25C16 162CB 4.562 25C16 25SG 4.612 25C16 162CA 4.657 25C16 162CG 4.876 25C16 162N 4.992 25O17 161O 3.437 25O17 161C 4.661 25N18 161O 3.143 25N18 25SG 3.301 25N18 162ND1 3.608 25N18 162CA 4.088 25N18 162CB 4.239 25N18 161C 4.252 25N18 162CG 4.379 25N18 25CB 4.462 25N18 162CE1 4.653 25N18 162N 4.681 25N18 19NE2 4.948 25N18 23CA 4.995 25C19 25SG 2.850 25C19 161O 3.592 25C19 23CA 4.261 25C19 25CB 4.284 25C19 162ND1 4.530 25C19 23C 4.535 25C19 162CA 4.545 25C19 161C 4.613 25C19 23O 4.725 25C19 25N 4.814 25N20 184CZ2 4.159 25N20 162ND1 4.342 25N20 184NE1 4.452 25N20 184CE2 4.669 25N20 162CE1 4.970 25C21 161O 3.074 25C21 25SG 3.220 25C21 161C 3.894 25C21 162CA 4.288 25C21 162N 4.439 25C21 65CA 4.747 25C21 161CA 4.860 25C21 25CB 4.980 25C22 25SG 1.762 25C22 25CB 2.996 25C22 25N 3.317 25C22 25CA 3.720 25C22 23C 3.769 25C22 23CA 3.914 25C22 23O 4.043 25C22 24N 4.052 25C22 19NE2 4.196 25C22 24C 4.394 25C22 162ND1 4.399 25C22 26N 4.510 25C22 25C 4.601 25C22 161O 4.652 25C22 24CA 4.697 25C22 162CA 4.792 25C22 163N 4.837 25C22 26CD1 4.881 25O23 25SG 2.430 25O23 25N 2.866 25O23 25CB 2.896 25O23 19NE2 3.003 25O23 23CA 3.259 25O23 23C 3.263 25O23 24N 3.328 25O23 25CA 3.459 25O23 23O 3.894 25O23 24C 3.945 25O23 19CD 4.004 25O23 19OE1 4.163 25O23 24CA 4.166 25O23 22O 4.360 25O23 162ND1 4.426 25O23 23N 4.535 25O23 25C 4.653 25O23 26N 4.784 25O23 22C 4.908 25O23 162CE1 4.912 25C24 59O 3.356 25C24 61OD2 4.112 25C24 60CA 4.139 25C24 61N 4.252 25C24 60ND2 4.327 25C24 60C 4.397 25C24 67CE2 4.413 25C24 59C 4.424 25C24 67CD2 4.649 25C24 61CB 4.711 25C24 60N 4.781 25C24 65O 4.810 25C24 66CA 4.888 25C24 61CG 4.890 25C25 61OD2 2.979 25C25 61CB 3.456 25C25 61N 3.582 25C25 61CG 3.623 25C25 65O 4.058 25C25 60C 4.074 25C25 61CA 4.084 25C25 59O 4.120 25C25 60CA 4.277 25C25 61OD1 4.827 25C25 65C 4.828 25C25 60O 4.832 25C25 66CA 4.907 25C26 61CB 3.331 25C26 65O 3.342 25C26 61OD2 3.552 25C26 61CG 3.818 25C26 61N 3.860 25C26 65C 3.890 25C26 61CA 4.226 25C26 64O 4.287 25C26 66N 4.362 25C26 66CA 4.392 25C26 60C 4.694 25C26 65CA 4.697 25C26 64C 4.855 25C26 61OD1 4.925 25C26 60CA 4.944 25C27 65O 3.537 25C27 65C 3.661 25C27 66N 3.764 25C27 66CA 3.789 25C27 67CE2 4.460 25C27 65CA 4.463 25C27 64O 4.501 25C27 61CB 4.521 25C27 66C 4.533 25C27 61N 4.713 25C27 67CD2 4.833 25C27 67CZ 4.873 25C27 61OD2 4.935 25C27 66O 4.986 25C28 67CE2 3.131 25C28 67CD2 3.493 25C28 67CZ 3.739 25C28 66CA 3.757 25C28 67OH 4.121 25C28 66C 4.151 25C28 66N 4.180 25C28 67CG 4.339 25C28 65O 4.368 25C28 67N 4.383 25C28 65C 4.453 25C28 67CE1 4.537 25C28 60ND2 4.576 25C28 66O 4.719 25C28 67CD1 4.789 25C29 67CE2 3.099 25C29 67CD2 3.367 25C29 60ND2 4.065 25C29 59O 4.096 25C29 67CZ 4.107 25C29 66CA 4.348 25C29 67CG 4.510 25C29 67OH 4.532 25C29 67N 4.689 25C29 60CA 4.697 25C29 66C 4.785 25C29 70OD1 4.794 25C29 65O 4.942 25C30 65C 3.364 25C30 66N 3.477 25C30 65O 3.676 25C30 65CA 3.705 25C30 64O 3.715 25C30 66CA 3.996 25C30 64C 4.521 25C30 65N 4.571 25C30 66C 4.606 25C30 66O 4.690 25O31 66N 4.304 25O31 65C 4.471 25O31 67OH 4.497 25O31 67CZ 4.562 25O31 65CA 4.615 25O31 64O 4.643 25O31 66CA 4.801 25O31 66O 4.804 25O31 67CE1 4.862 25O31 67CE2 4.899 25O31 65O 4.995 25O31 66C 4.998 25C32 66O 4.210 25C32 66N 4.247 25C32 65CA 4.648 25C32 65C 4.675 25C32 67CE1 4.683 25C32 66C 4.745 25C32 67CZ 4.797 25C32 66CA 4.862 25C32 67OH 4.906 25O33 67CE1 4.116 25O33 67CZ 4.445 25O33 67OH 4.485 25O33 66O 4.628 25O33 67CD1 4.718 25O33 253OH2 4.812 25O33 160O 4.869 25C34 66O 3.728 25C34 66N 4.086 25C34 65CA 4.283 25C34 65C 4.685 25C34 25SG 4.701 25C34 66C 4.710 25C34 161O 4.715 25C34 161C 4.780 25C35 66O 3.094 25C35 66C 4.237 25C35 68CE 4.248 25C35 66N 4.449 25C35 163CB 4.779 25C35 163N 4.929 25C35 66CA 4.993 25C36 66O 4.248 25C36 134CB 4.455 25C36 209CD2 4.608 25C36 68CE 4.627 25C36 160O 4.689 25C36 162N 4.700 25C36 160C 4.804 25C36 161C 4.832 25C36 161CA 4.852 25C36 67CD1 4.855 25C36 67CE1 4.866 25C36 161N 4.905 25C36 160CB 4.964 25C37 162N 3.453 25C37 134CB 3.566 25C37 162C 3.722 25C37 163N 3.858 25C37 162O 3.881 25C37 161C 3.888 25C37 161N 4.019 25C37 162CA 4.040 25C37 161CA 4.109 25C37 160C 4.197 25C37 163CA 4.335 25C37 163CB 4.414 25C37 160O 4.461 25C37 160CB 4.479 25C37 134CA 4.485 25C37 161O 4.643 25C37 160CA 4.832 25C37 68CE 4.842 25C37 209CD2 4.996 25C38 209CD2 3.377 25C38 67CD1 3.746 25C38 67CE1 3.972 25C38 68CE 4.019 25C38 134CB 4.063 25C38 66O 4.117 25C38 209CG 4.387 25C38 67CG 4.813 25C38 67CA 4.927 25C39 65CA 3.495 25C39 25SG 3.606 25C39 66N 3.612 25C39 66O 3.741 25C39 26CD1 4.029 25C39 65C 4.099 25C39 26CB 4.554 25C39 26CG 4.652 25C39 66C 4.666 25C39 65N 4.740 25C39 26N 4.747 25C39 66CA 4.755 25C39 23O 4.898 25C39 161O 4.941 25O40 66N 2.789 25O40 66O 2.930 25O40 26CD1 2.937 25O40 65CA 3.211 25O40 26CB 3.444 25O40 26CG 3.455 25O40 65C 3.479 25O40 66C 3.767 25O40 66CA 3.842 25O40 25SG 3.892 25O40 26N 3.999 25O40 26NE1 4.011 25O40 26CA 4.273 25O40 65N 4.534 25O40 23O 4.581 25O40 26CD2 4.697 25O40 65O 4.703 25O40 68CE 4.926 25O40 26CE2 4.943 25O40 25N 4.988 25N41 25SG 2.879 25N41 65CA 3.789 25N41 161O 4.253 25N41 23O 4.382 25N41 26CD1 4.417 25N41 66N 4.577 25N41 25CB 4.611 25N41 23C 4.734 25N41 65N 4.734 25N41 65C 4.774 25N41 25N 4.80O 25N41 161C 4.855 25N41 26N 4.870 25N41 162CA 4.874 25N41 163N 4.932 25C42 25SG 2.470 25C42 23O 3.257 25C42 23C 3.448 25C42 25N 3.529 25C42 26CD1 3.714 25C42 65CA 3.771 25C42 25CB 3.843 25C42 23CA 3.956 25C42 24N 3.966 25C42 26N 4.147 25C42 25CA 4.156 25C42 24C 4.282 25C42 24CA 4.390 25C42 65N 4.469 25C42 26NE1 4.524 25C42 25C 4.662 25C42 26CG 4.728 25C42 66N 4.771 25C42 65C 4.825 25C42 26CB 4.981 25N43 66N 3.501 25N43 65CA 3.665 25N43 66O 3.722 25N43 65C 3.917 25N43 66C 4.394 25N43 66CA 4.413 25N43 64O 4.690 25N43 65O 4.923 25N43 65N 4.930

TABLE XXVI Table of distances in Ångstroms between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor 4-[N-[(4-pyridylmethoxy)carbonyl]-L-leucyl]-1-[N- [(phenylmethoxy)carbonyl]-L-leucyl]-3-pyrrolidinone. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. 25C1 242OH2 3.241 25C1 18OD1 3.446 25C1 184CD1 3.907 25C1 184CB 3.929 25C1 184CG 3.941 25C1 184CA 4.202 25C1 18CG 4.369 25C1 18ND2 4.563 25C1 184NE1 4.640 25C1 184O 4.676 25C1 184CD2 4.729 25C1 184C 4.752 25C1 21NE2 4.852 25C1 20N 4.956 25C2 184CD1 3.751 25C2 184CG 3.778 25C2 184NE1 4.100 25C2 184CD2 4.156 25C2 184CB 4.179 25C2 184CE2 4.339 25C2 242OH2 4.411 25C2 18OD1 4.705 25C2 184CA 4.841 25C2 184CE3 4.910 25C3 184NE1 3.789 25C3 184CD1 3.817 25C3 184CE2 4.203 25C3 184CG 4.246 25C3 184CD2 4.475 25C3 20O 4.505 25C3 184CZ2 4.908 25C3 21NE2 4.969 25C4 20O 3.140 25C4 19CG 4.004 25C4 20C 4.011 25C4 184CD1 4.042 25C4 184NE1 4.079 25C4 21NE2 4.367 25C4 20N 4.403 25C4 19CD 4.509 25C4 20CA 4.543 25C4 21OE1 4.778 25C4 184CG 4.809 25C4 18OD1 4.811 25C4 184CE2 4.867 25C4 21CD 4.895 25C4 19NE2 4.938 25C4 21N 4.965 25C5 20O 2.695 25C5 20N 3.202 25C5 20C 3.263 25C5 20CA 3.407 25C5 18OD1 3.589 25C5 19CG 3.659 25C5 21NE2 3.950 25C5 19C 4.127 25C5 184CD1 4.183 25C5 21N 4.369 25C5 242OH2 4.392 25C5 18CG 4.548 25C5 19CD 4.599 25C5 184NE1 4.619 25C5 19N 4.620 25C5 19CA 4.668 25C5 19CB 4.730 25C5 21CD 4.753 25C5 18ND2 4.801 25C5 190 4.927 25C5 184CG 4.931 25C5 183O 4.975 25C5 21OE1 4.987 25C6 18OD1 2.695 25C6 242OH2 3.232 25C6 20N 3.572 25C6 18CG 3.627 25C6 18ND2 3.837 25C6 20CA 3.842 25C6 20O 3.869 25C6 184CD1 4.122 25C6 20C 4.133 25C6 21NE2 4.219 25C6 19CG 4.448 25C6 184CA 4.454 25C6 184CG 4.538 25C6 184CB 4.595 25C6 19N 4.613 25C6 19C 4.668 25C6 183O 4.825 25C6 244OH2 4.841 25C6 184NE1 4.878 25C7 20O 2.832 25C7 19CG 3.901 25C7 20C 3.960 25C7 19CD 4.075 25C7 19NE2 4.108 25C7 22O 4.387 25C7 184NE1 4.479 25C7 22N 4.658 25C7 21CA 4.703 25C7 19OE1 4.733 25C7 21OE1 4.734 25C7 21N 4.779 25C7 184CD1 4.791 25C7 20N 4.797 25C7 21NE2 4.850 25C7 20CA 4.870 25O8 20O 4.185 25O8 184NE1 4.318 25O8 19NE2 4.505 25O8 19CD 4.575 25O8 19CG 4.801 25O8 184CE2 4.904 25O8 184CD1 4.980 25O8 19OE1 4.989 25C9 184NE1 3.701 25C9 19NE2 4.091 25C9 19CD 4.179 25C9 184CE2 4.209 25C9 184CZ2 4.214 25C9 19OE1 4.322 25C9 162CE1 4.669 25C9 184CD1 4.680 25C9 19CG 4.819 25O10 184NE1 2.553 25O10 184CE2 3.148 25O10 184CZ2 3.297 25O10 19OE1 3.438 25O10 19CD 3.591 25O10 184CD1 3.650 25O10 162CE1 3.653 25O10 19NE2 3.822 25O10 162ND1 4.295 25O10 19CG 4.332 25O10 184CD2 4.379 25C10 162NE2 4.393 25O10 184CH2 4.579 25O10 184CG 4.611 25C11 162ND1 3.950 25C11 162CE1 4.196 25C11 184CZ2 4.648 25C11 19NE2 4.924 25C11 162CG 4.968 25C12 162ND1 4.717 25C12 161O 4.982 25C13 161OD1 4.017 25C13 162ND1 4.533 25C13 161CG 4.712 25C13 161O 4.749 25C13 184CZ2 4.831 25C13 162CB 4.860 25C13 162CG 4.864 25C13 137O 4.980 25C14 161OD1 3.145 25C14 162ND 3.354 25C14 162CB 3.366 25C14 162CG 3.508 25C14 161O 3.685 25C14 161C 3.990 25C14 162CA 4.004 25C14 161CG 4.037 25C14 162N 4.168 25C14 162CE1 4.261 25C14 137CB 4.367 25C14 161CB 4.378 25C14 162CD2 4.476 25C14 184CZ2 4.641 25C14 137C 4.815 25C14 162NE2 4.847 25C14 161CA 4.867 25C14 137O 4.907 25C14 137CA 5.000 25C15 137O 4.063 25C15 184CZ2 4.064 25C15 184CH2 4.220 25C15 137C 4.530 25C15 161OD1 4.738 25C15 138CA 4.806 25C15 138N 4.887 25C15 137CB 4.908 25C16 162ND1 4.014 25C16 25SG 4.159 25C16 19NE2 4.348 25C16 162CE1 4.375 25C16 23CA 4.579 25C16 161O 4.665 25O17 23CA 3.462 25O17 19NE2 3.921 25O17 23C 4.371 25O17 23N 4.429 25O17 22O 4.568 25O17 25SG 4.579 25O17 22C 4.858 25O17 19CD 4.877 25O17 23O 4.921 25O17 24N 4.983 25N18 25SG 3.257 25N18 162ND1 3.402 25N18 161O 3.468 25N18 162CE1 4.081 25N18 25CB 4.457 25N18 162CG 4.523 25N18 161C 4.569 25N18 162CA 4.582 25N18 162CB 4.845 25N18 19NE2 4.859 25C19 25SG 2.794 25C19 161O 3.684 25C19 25CB 4.234 25C19 162ND1 4.247 25C19 23CA 4.366 25C19 23O 4.457 25C19 23C 4.497 25C19 25N 4.673 25C19 161C 4.876 25C19 162CE1 4.889 25C19 19NE2 4.898 25N20 19NE2 4.613 25N20 184NE1 4.773 25N20 184CZ2 4.805 25N20 162CE1 4.936 25N20 19CD 4.991 25C21 161O 2.879 25C21 25SG 3.218 25C21 161C 4.048 25C21 162CA 4.631 25C21 162N 4.811 25C21 65CA 4.831 25C21 162ND1 4.843 25C21 25CB 4.939 25C21 163N 4.976 25C22 25SG 1.746 25C22 25CB 2.980 25C22 25N 3.156 25C22 25CA 3.592 25C22 23O 3.702 25C22 23C 3.712 25C22 23CA 4.038 25C22 19NE2 4.077 25C22 24N 4.130 25C22 26N 4.232 25C22 162ND1 4.246 25C22 24C 4.298 25C22 25C 4.374 25C22 162CE1 4.608 25C22 24CA 4.620 25C22 161O 4.649 25C22 26CD1 4.828 25C22 19OE1 4.874 25C22 19CD 4.942 25O23 25SG 2.426 25O23 25N 2.644 25O23 25CB 2.944 25O23 19NE2 2.944 25O23 23C 2.957 25O23 24N 3.189 25O23 23CA 3.211 25O23 23O 3.326 25O23 25CA 3.349 25O23 24C 3.666 25O23 24CA 3.882 25O23 19CD 3.941 25O23 19OE1 4.099 25O23 22O 4.365 25O23 25C 4.451 25O23 26N 4.481 25O23 23N 4.525 25O23 162ND1 4.590 25O23 162CE1 4.629 25O23 24O 4.773 25O23 22C 4.910 25C24 65CA 4.095 25C24 66N 4.264 25C24 65C 4.356 25C24 64O 4.547 25C24 66O 4.628 25C25 66O 3.688 25C25 161O 3.862 25C25 66N 4.313 25C25 161C 4.458 25C25 66C 4.741 25C25 65CA 4.778 25C25 161CA 4.939 25C25 25SG 4.963 25C25 65C 4.974 25C26 66O 3.481 25C26 161O 4.269 25C26 161C 4.491 25C26 163N 4.695 25C26 66C 4.696 25C26 160O 4.785 25C26 163CB 4.799 25C26 162N 4.915 25C26 161CA 4.923 25C27 160O 3.472 25C27 160C 4.089 25C27 161CA 4.307 25C27 161C 4.320 25C27 161N 4.440 25C27 161O 4.452 25C27 66O 4.548 25C27 160CB 4.699 25C27 134CB 4.734 25C27 162N 4.770 25C27 209CD2 4.918 25C28 160O 3.351 25C28 160C 4.338 25C28 67CE1 4.588 25C28 161CA 4.739 25C28 66O 4.818 25C28 161N 4.934 25C28 67CD1 4.955 25C29 209CD2 3.439 25C29 134CB 3.686 25C29 160O 4.049 25C29 160CB 4.234 25C29 160C 4.490 25C29 67CD1 4.759 25C29 66O 4.795 25C29 209CG 4.839 25C29 67CE1 4.896 25C30 66O 3.533 25C30 66N 3.616 25C30 25SG 3.883 25C30 65CA 3.972 25C30 26CD1 4.246 25C30 26CB 4.295 25C30 65C 4.296 25C30 161O 4.302 25C30 66C 4.432 25C30 66CA 4.591 25C30 26CG 4.623 25C30 26N 4.737 25C30 163CB 4.852 25C30 163N 4.940 25O31 66O 2.635 25O31 66N 2.846 25O31 26CB 3.199 25O31 26CD1 3.340 25O31 66C 3.423 25O31 26CG 3.516 25O31 66CA 3.653 25O31 65C 3.792 25O31 65CA 3.821 25O31 26N 4.122 25O31 26CA 4.160 25O31 25SG 4.278 25O31 26NE1 4.531 25O31 67N 4.618 25O31 163CB 4.642 25O31 26CD2 4.797 25O31 65O 4.959 25N32 25SG 2.963 25N32 161O 3.860 25N32 65CA 4.049 25N32 66N 4.382 25N32 23O 4.384 25N32 26CD1 4.398 25N32 26N 4.601 25N32 25CB 4.628 25N32 25N 4.764 25N32 65C 4.790 25N32 66C 4.806 25N32 163N 4.815 25N32 26CB 4.836 25N32 161C 4.880 25N32 23C 4.985 25C33 25SG 2.418 25C33 23O 3.256 25C33 25N 3.403 25C33 26CD1 3.587 25C33 26N 3.672 25C33 25CB 3.751 25C33 23C 3.758 25C33 25CA 3.959 25C33 65CA 3.999 25C33 25C 4.264 25C33 24N 4.334 25C33 24C 4.346 25C33 26CG 4.388 25C33 26CB 4.392 25C33 23CA 4.425 25C33 66N 4.510 25C33 24CA 4.531 25C33 26CA 4.616 25C33 26NE1 4.621 25C33 65C 4.831 25C33 65N 4.901 25C33 161O 4.934 25N34 66O 3.486 25N34 66N 3.771 25N34 65CA 4.261 25N34 65C 4.264 25N34 66C 4.330 25N34 65CA 4.464 25N34 161O 4.991

TABLE XXVII Table of distances in Ångstroms between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor 4-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-1-N[N-(methyl)-L-leucyl)]-3-pyrrolidinone. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. 25C1 242OH2 3.241 25C1 18OD1 3.446 25C1 184CD1 3.907 25C1 184CB 3.929 25C1 184CG 3.941 25C1 184CA 4.202 25C1 18CG 4.369 25C1 18ND2 4.563 25C1 184NE1 4.640 25C1 184O 4.676 25C1 184CD2 4.729 25C1 184C 4.752 25C1 21NE2 4.852 25C1 20N 4.956 25C2 184CD1 3.751 25C2 184CG 3.778 25C2 184NE1 4.100 25C2 184CD2 4.156 25C2 184CB 4.179 25C2 184CE2 4.339 25C2 242OH2 4.411 25C2 18OD1 4.705 25C2 184CA 4.841 25C2 184CE3 4.910 25C3 184NE1 3.789 25C3 184CD1 3.817 25C3 184CE2 4.203 25C3 184CG 4.246 25C3 184CD2 4.475 25C3 20O 4.505 25C3 184CZ2 4.908 25C3 21NE2 4.969 25C4 20O 3.140 25C4 19CG 4.004 25C4 20C 4.011 25C4 184CD1 4.042 25C4 184NE1 4.079 25C4 21NE2 4.367 25C4 20N 4.403 25C4 19CD 4.509 25C4 20CA 4.543 25C4 21OE1 4.778 25C4 184CG 4.809 25C4 18OD1 4.811 25C4 184CE2 4.867 25C4 21CD 4.895 25C4 19NE2 4.938 25C4 21N 4.965 25C5 20O 2.695 25C5 20N 3.202 25C5 20C 3.263 25C5 20CA 3.407 25C5 18OD1 3.589 25C5 19CG 3.659 25C5 21NE2 3.950 25C5 19C 4.127 25C5 184CD1 4.183 25C5 21N 4.369 25C5 242OH2 4.392 25C5 18CG 4.548 25C5 19CD 4.599 25C5 184NE1 4.619 25C5 19N 4.620 25C5 19CA 4.668 25C5 19CB 4.730 25C5 21CD 4.753 25C5 18ND2 4.801 25C5 19O 4.927 25C5 184CG 4.931 25C5 183O 4.975 25C5 21OE1 4.987 25C6 18OD1 2.695 25C6 242OH2 3.232 25C6 20N 3.572 25C6 18CG 3.627 25C6 18ND2 3.837 25C6 20CA 3.842 25C6 20O 3.869 25C6 184CD1 4.122 25C6 20C 4.133 25C6 21NE2 4.219 25C6 19CG 4.448 25C6 184CA 4.454 25C6 184CG 4.538 25C6 184CB 4.595 25C6 19N 4.613 25C6 19C 4.668 25C6 183O 4.825 25C6 244OH2 4.841 25C6 184NE1 4.878 25C7 20O 2.832 25C7 19CG 3.901 25C7 20C 3.960 25C7 19CD 4.075 25C7 19NE2 4.108 25C7 22O 4.387 25C7 184NE1 4.479 25C7 22N 4.658 25C7 21CA 4.703 25C7 19OE1 4.733 25C7 21OE1 4.734 25C7 21N 4.779 25C7 184CD1 4.791 25C7 20N 4.797 25C7 21NE2 4.850 25C7 20CA 4.870 25O8 20O 4.185 25O8 184NE1 4.318 25O8 19NE2 4.505 25O8 19CD 4.575 25O8 19CG 4.801 25O8 184CE2 4.904 25O8 184CD1 4.980 25O8 19OE1 4.989 25C9 184NE1 3.701 25C9 19NE2 4.091 25C9 19CD 4.179 25C9 184CE2 4.209 25C9 184CZ2 4.214 25C9 19OE1 4.322 25C9 162CE1 4.669 25C9 184CD1 4.680 25C9 19CG 4.819 25O10 184NE1 2.553 25O10 184CE2 3.148 25O10 184CZ2 3.297 25O10 19OE1 3.438 25O10 19CD 3.591 25O10 184CD1 3.650 25O10 162CE1 3.653 25O10 19NE2 3.822 25O10 162ND1 4.295 25O10 19CG 4.332 25O10 184CD2 4.379 25O10 162NE2 4.393 25O10 184CH2 4.579 25O10 184CG 4.611 25C11 162ND1 3.950 25C11 162CE1 4.196 25C11 184CZ2 4.648 25C11 19NE2 4.924 25C11 162CG 4.968 25C12 162ND1 4.717 25C12 161O 4.982 25C13 161OD1 4.017 25C13 162ND1 4.533 25C13 161CG 4.712 25C13 161O 4.749 25C13 184CZ2 4.831 25C13 162CB 4.860 25C13 162CCG 4.864 25C13 137O 4.980 25C14 161OD1 3.145 25C14 162ND1 3.354 25C14 162CB 3.366 25C14 162CG 3.508 25C14 161O 3.685 25C14 161C 3.990 25C14 162CA 4.004 25C14 161CG 4.037 25C14 162N 4.168 25C14 162CE1 4.261 25C14 137CB 4.367 25C14 161CB 4.378 25C14 162CD2 4.476 25C14 184CZ2 4.641 25C14 137C 4.815 25C14 162NE2 4.847 25C14 161CA 4.867 25C14 137O 4.907 25C14 137CA 5.000 25C15 137O 4.063 25C15 184CZ2 4.064 25C15 184CH2 4.220 25C15 137C 4.530 25C15 161OD1 4.738 25C15 138CA 4.806 25C15 138N 4.887 25C15 137CB 4.908 25C16 162ND1 4.014 25C16 25SG 4.159 25C16 19NE2 4.348 25C16 162CE1 4.375 25C16 23CA 4.579 25C16 161O 4.665 25O17 23CA 3.462 25O17 19NE2 3.921 25O17 23C 4.371 25O17 23N 4.429 25O17 22O 4.568 25O17 25SG 4.579 25O17 22C 4.85 25O17 19CD 4.877 25O17 23O 4.921 25O17 24N 4.983 25N18 25SG 3.257 25N18 162ND1 3.402 25N18 161O 3.468 25N18 162CE1 4.081 25N18 25CB 4.457 25N18 162CG 4.523 25N18 161C 4.569 25N18 162CA 4.582 25N18 162CB 4.845 25N18 19NE2 4.859 25C19 25SG 2.794 25C19 161O 3.684 25C19 25CB 4.234 25C19 162ND1 4.247 25C19 23CA 4.366 25C19 23O 4.457 25C19 23C 4.497 25C19 25N 4.673 25C19 161C 4.876 25C19 162CE1 4.889 25C19 19NE2 4.898 25N20 19NE2 4.613 25N20 184NE1 4.773 25N20 184CZ2 4.805 25N20 162CE1 4.936 25N20 19CD 4.991 25C21 161O 2.879 25C21 25SG 3.218 25C21 161C 4.048 25C21 162CA 4.631 25C21 162N 4.811 25C21 65CA 4.831 25C21 162ND1 4.843 25C21 25CB 4.939 25C21 163N 4.976 25C22 25SG 1.746 25C22 25CB 2.980 25C22 25N 3.156 25C22 25CA 3.592 25C22 23O 3.702 25C22 23C 3.712 25C22 23CA 4.038 25C22 19NE2 4.077 25C22 24N 4.130 25C22 26N 4.232 25C22 162ND1 4.246 25C22 24C 4.298 25C22 25C 4.374 25C22 162CE1 4.608 25C22 24CA 4.620 25C22 161O 4.649 25C22 26CD1 4.828 25C22 19OE1 4.874 25C22 19CD 4.942 25O23 25SG 2.426 25O23 25N 2.644 25O23 25CB 2.944 25O23 19NE2 2.944 25O23 23C 2.957 25O23 24N 3.189 25O23 23CA 3.211 25O23 23O 3.326 25O23 25CA 3.349 25O23 24C 3.666 25O23 24CA 3.882 25O23 19CD 3.941 25O23 19OE1 4.099 25O23 22O 4.365 25O23 25C 4.451 25O23 26N 4.481 25O23 23N 4.525 25O23 162ND1 4.590 25O23 162CE1 4.629 25O23 24O 4.773 25O23 22C 4.910 25C24 65CA 4.095 25C24 66N 4.264 25C24 65C 4.356 25C24 64O 4.547 25C24 66O 4.628 25C25 66O 3.688 25C25 161O 3.862 25C25 66N 4.313 25C25 161C 4.458 25C25 66C 4.741 25C25 65CA 4.778 25C25 161CA 4.939 25C25 25SG 4.963 25C25 65C 4.974 25C26 66O 3.481 25C26 161O 4.269 25C26 161C 4.491 25C26 163N 4.695 25C26 66C 4.696 25C26 160O 4.785 25C26 163CB 4.799 25C26 162N 4.915 25C26 161CA 4.923 25C27 160O 3.472 25C27 160C 4.089 25C27 161CA 4.307 25C27 161C 4.320 25C27 161N 4.440 25C27 161O 4.452 25C27 66O 4.548 25C27 160CB 4.699 25C27 134CB 4.734 25C27 162N 4.770 25C27 209CD2 4.918 25C28 160O 3.351 25C28 160C 4.338 25C28 67CE1 4.588 25C28 161CA 4.739 25C28 66O 4.818 25C28 161N 4.934 25C28 67CD1 4.955 25C29 209CD2 3.439 25C29 134CB 3.686 25C29 160O 4.049 25C29 160CB 4.234 25C29 160C 4.490 25C29 67CD1 4.759 25C29 66O 4.795 25C29 209CG 4.839 25C29 67CE1 4.896 25C30 66O 3.533 25C30 66N 3.616 25C30 25SG 3.883 25C30 65CA 3.972 25C30 26CD1 4.246 25C30 26CB 4.295 25C30 65C 4.296 25C30 161O 4.302 25C30 66C 4.432 25C30 66CA 4.591 25C30 26CG 4.623 25C30 26N 4.737 25C30 163CB 4.852 25C30 163N 4.940 25O31 66O 2.635 25O31 66N 2.846 25O31 26CB 3.199 25O31 26CD1 3.340 25O31 66C 3.423 25O31 26CG 3.516 25O31 66CA 3.653 25O31 65C 3.792 25O31 65CA 3.821 25O31 26N 4.122 25O31 26CA 4.160 25O31 25SG 4.278 25O31 26NE1 4.531 25O31 67N 4.618 25O31 163CB 4.642 25O31 26CD2 4.797 25O31 65O 4.959 25N32 25SG 2.963 25N32 161O 3.860 25N32 65CA 4.049 25N32 66N 4.382 25N32 23O 4.384 25N32 26CD1 4.398 25N32 26N 4.601 25N32 25CB 4.628 25N32 25N 4.764 25N32 65C 4.790 25N32 66O 4.806 25N32 163N 4.815 25N32 26CB 4.836 25N32 161C 4.880 25N32 23C 4.985 25C33 25SG 2.418 25C33 23O 3.256 25C33 25N 3.403 25C33 26CD1 3.587 25C33 26N 3.672 25C33 25CB 3.751 25C33 23C 3.758 25C33 25CA 3.959 25C33 65CA 3.999 25C33 25C 4.264 25C33 24N 4.334 25C33 24C 4.346 25C33 26CG 4.388 25C33 26CB 4.392 25C33 23CA 4.425 25C33 66N 4.510 25C33 24CA 4.531 25C33 26CA 4.616 25C33 26NE1 4.621 25C33 65C 4.831 25C33 65N 4.901 25C33 161O 4.934 25N34 66O 3.486 25N34 66N 3.771 25N34 65CA 4.261 25N34 65C 4.264 25N34 66C 4.330 25N34 66CA 4.464 25N34 161O 4.991

TABLE XXVIII Table of distance in Ångstroms between atoms of the inhibitor and protein for all protein atoms within 5 Ångstroms of the inhibitor 1-N-(N-imidazole acetyl-leucinyl)-amino-3-N-(4- phenoxy-phenyl-sulfonyl)-amino-propan-2-one. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. Atom 1 Atom 2 Dist. 25C1 20O 2.824 25C1 20C 3.956 25C1 184NE1 4.078 25C1 184CD1 4.178 25C1 21CA 4.600 25C1 20N 4.704 25C1 21N 4.706 25C1 21NE2 4.738 25C1 19CB 4.859 25C1 19CD 4.929 25C1 20CA 4.947 25C1 184CE2 4.949 25C1 19CG 4.998 25C2 20O 3.367 25C2 21NE2 4.119 25C2 241OH2 4.309 25C2 20C 4.592 25C2 184NE1 4.819 25C2 184CD1 4.860 25C3 241OH2 3.093 25C3 20O 3.775 25C3 21NE2 4.450 25C3 184CD1 4.878 25C3 20C 4.988 25C4 241OH2 3.480 25C4 20O 3.717 25C4 18OD1 3.947 25C4 184CD1 4.219 25C4 184CG 4.493 25C4 184O 4.549 25C4 184CB 4.602 25C4 184CA 4.747 25C4 18CG 4.754 25C4 18ND2 4.754 25C4 20C 4.826 25C4 184NE1 4.840 25C4 20N 4.964 25C4 184C 4.980 25C5 20O 3.239 25C5 18OD1 3.271 25C5 184CD1 3.400 25C5 20N 3.933 25C5 184CG 4.002 25C5 184NE1 4.111 25C5 184CA 4.118 25C5 20C 4.232 25C5 18CG 4.245 25C5 184CB 4.256 25C5 19CB 4.402 25C5 183O 4.499 25C5 184O 4.503 25C5 20CA 4.51O 25C5 19N 4.552 25C5 184C 4.587 25C5 18ND2 4.606 25C5 19C 4.765 25C5 19CA 4.817 25C5 241OH2 4.867 25C5 184CD2 4.968 25C6 20O 2.740 25C6 184CD1 3.361 25C6 184NE1 3.660 25C6 20C 3.746 25C6 20N 3.761 25C6 19CB 3.788 25C6 18OD1 4.136 25C6 19CG 4.290 25C6 184CC 4.321 25C6 20CA 4.335 25C6 19C 4.361 25C6 19CD 4.428 25C6 19CA 4.488 25C6 19OE1 4.526 25C6 19N 4.653 25C6 184CE2 4.729 25C6 183O 4.737 25C6 21N 4.769 25C6 184CA 4.918 25C6 184CB 4.981 25C6 19NE2 4.990 25O7 20O 3.287 25O7 21CA 4.138 25O7 20C 4.173 25O7 19NE2 4.269 25O7 21C 4.370 25O7 19CD 4.416 25O7 184NE1 4.459 25O7 21O 4.466 25O7 22O 4.540 25O7 21N 4.558 25O7 19CG 4.663 25O7 19OE1 4.850 25O7 184CD1 4.897 25O7 19CB 4.977 25C8 19NE2 4.003 25C8 184NE1 4.235 25C8 19CD 4.404 25C8 20O 4.665 25C8 19OE1 4.715 25C8 22O 4.861 25C8 21O 4.937 25C8 184CE2 4.948 25C9 184NE1 3.199 25C9 19NE2 3.212 25C9 19CD 3.472 25C9 19OE1 3.533 25C9 184CE2 4.000 25C9 184CD1 4.152 25C9 184CZ2 4.206 25C9 19CG 4.414 25C9 162NE2 4.653 25C9 22O 4.860 25C9 162CD2 4.867 25C9 19CB 4.910 25C10 184NE1 3.388 25C10 184CZ2 3.605 25C10 19NE2 3.666 25C10 184CE2 3.828 25C10 162CD2 3.878 25C10 19OE1 3.887 25C10 162NE2 3.948 25C10 19CD 4.067 25C10 184CD1 4.615 25C10 162CG 4.799 25C10 184CH2 4.859 25C10 162CE1 4.873 25C11 184CZ2 4.084 25C11 184NE1 4.519 25C11 162CD2 4.567 25C11 184CE2 4.664 25C11 19NE2 4.718 25C11 162NE2 4.920 25C13 19NE2 4.978 25S14 162CD2 3.947 25514 184CZ2 4.113 25S14 162CG 4.222 25S14 162CB 4.332 25S14 161O 4.574 25S14 162NE2 4.657 25S14 161OD1 4.760 25S14 184CH2 4.865 25O15 184CZ2 3.079 25O15 184CH2 3.580 25O15 162CG 3.856 25O15 162CD2 3.881 25O15 137O 3.985 25O15 162CB 4.051 25O15 184CE2 4.275 25O15 137CB 4.300 25O15 162ND1 4.343 25O15 162NE2 4.364 25O15 161OD1 4.610 25O15 162CE1 4.620 25O15 137C 4.663 25O15 184NE1 4.807 25O15 184CZ3 4.973 25O16 161OD1 4.484 25O16 161O 4.575 25O16 161CG 4.963 25N17 162CD2 2.828 25N17 162CG 3.217 25N17 161O 3.256 25N17 162CB 3.276 25N17 162CA 3.672 25N17 162NE2 3.893 25N17 161C 4.006 25N17 25SG 4.125 25N17 162N 4.251 25N17 162ND1 4.353 25N17 161OD1 4.593 25N17 162CE1 4.665 25N17 184CZ2 4.778 25N17 25CB 4.819 25C18 161O 3.031 25C18 25SG 3.290 25C18 162CD2 3.499 25C18 162CA 4.069 25C18 161C 4.107 25C18 162CG 4.151 25C18 162CB 4.188 25C18 25CB 4.359 25C18 19NE2 4.573 25C18 162NE2 4.594 25C18 162N 4.597 25C19 25SG 1.931 25C19 25CB 3.158 25C19 162CD2 3.616 25C19 161O 3.716 25C19 19NE2 3.740 25C19 25N 4.227 25C19 25CA 4.306 25C19 23CA 4.380 25C19 162CA 4.405 25C19 23O 4.494 25C19 23C 4.496 25C19 162CG 4.541 25C19 162NE2 4.577 25C19 19CD 4.643 25C19 19OE1 4.705 25C19 161C 4.813 25C19 162CB 4.819 25O20 19NE2 2.778 25O20 25SG 2.890 25O20 23CA 3.251 25O20 25CB 3.629 25O20 23C 3.723 25O20 19CD 3.918 25O20 23O 4.030 25O20 25N 4.152 25020 19OE1 4.290 25O20 24N 4.342 25O20 162CD2 4.356 25O20 23N 4.524 25O20 25CA 4.566 25O20 22O 4.681 25O20 161O 4.912 25C21 25SG 2.532 25C21 161O 3.420 25C21 23O 4.107 25C21 25CB 4.220 25C21 23C 4.540 25C21 65CA 4.542 25C21 161C 4.578 25C21 23CA 4.599 25C21 162CA 4.793 25C21 25N 4.822 25C21 162CD2 4.980 25N22 161O 2.689 25N22 25SG 2.783 25N22 161C 3.649 25N22 162CA 4.003 25N22 162N 4.221 25N22 163N 4.453 25N22 25CB 4.578 25N22 162C 4.691 25N22 161CA 4.693 25N22 65CA 4.839 25C23 161O 3.461 25C23 25SG 3.771 25C23 161C 4.205 25C23 66O 4.217 25C23 65CA 4.220 25C23 66N 4.268 25C23 162N 4.828 25C23 162CA 4.844 25C23 65C 4.845 25C23 26CD1 4.890 25C23 161CA 4.937 25C23 26CB 4.974 25O24 65CA 3.024 25O24 66N 3.208 25O24 65C 3.657 25O24 66O 3.830 25O24 65N 4.287 25O24 26CD1 4.326 25924 25SG 4.394 25O24 66CA 4.437 25O24 161O 4.526 25O24 66C 4.595 25O24 64O 4.818 25O24 23O 4.843 25O24 26CG 4.879 25O24 26CB 4.888 25O24 65O 4.923 25O24 64C 4.972 25C25 161O 3.652 25C25 66O 3.880 25C25 161C 3.949 25C25 162N 4.375 25C25 161CA 4.493 25C25 163N 4.584 25C25 25SG 4.592 25C25 162CA 4.608 25C25 162C 4.759 25C25 66N 4.805 25C25 163CB 4.922 25C26 66O 3.186 25C26 163CB 3.703 25C26 26CB 3.850 25C26 163N 4.052 25C26 25SG 4.357 25C26 163CA 4.390 25C26 66C 4.421 25C26 26CA 4.561 25C26 162C 4.598 25C26 68SD 4.628 25C26 161O 4.666 25C26 66N 4.721 25C26 26N 4.729 25C26 26CG 4.770 25C26 162CA 4.869 25C26 161C 4.907 25C26 162N 4.970 25C26 26CD1 4.999 25C27 163CB 3.337 25C27 68SD 3.583 25C27 66O 3.590 25C27 163CA 4.029 25C27 163N 4.096 25C27 68CE 4.156 25C27 134CB 4.190 25C27 209CD2 4.248 25C27 26CB 4.361 25C27 162C 4.597 25C27 66C 4.797 25C27 162O 4.893 25C27 26CA 4.943 25C27 67CA 4.946 25C28 134CB 3.049 25C28 163CB 3.699 25C28 163N 3.714 25C28 162C 3.789 25C28 162O 3.807 25C28 163CA 3.820 25C28 209CD2 3.901 25C28 134CA 3.967 25C28 162N 4.239 25C28 162CA 4.478 25C28 68CE 4.498 25C28 68SD 4.535 25C28 161C 4.582 25C28 66O 4.956 25C28 134C 4.964 25C28 161O 4.966 25C28 161N 4.992 25C29 66O 2.949 25C29 209CD2 3.567 25C29 68SD 3.617 25C29 67CA 3.759 25C29 67CD1 3.963 25C29 66C 3.998 25C29 68CE 4.231 25C29 67N 4.370 25C29 68N 4.410 25C29 67C 4.555 25C29 67CB 4.556 25C29 67CG 4.589 25C29 163CB 4.636 25C29 134CB 4.685 25C29 234OH2 4.722 25C29 26CB 4.726 25C29 67CE1 4.755 25N30 66O 3.644 25N30 66N 4.623 25N30 161O 4.640 25N30 66C 4.640 25N30 161C 4.793 25N30 161CA 4.888 25N30 160O 4.908 25C31 160O 3.792 25C31 161CA 4.412 25C31 160C 4.476 25C31 161C 4.719 25C31 66O 4.743 25C31 161N 4.777 25C31 161O 4.849 25C31 67CE1 4.934 25O32 160O 2.720 25O32 160C 3.270 25O32 161CA 3.397 25O32 161N 3.577 25O32 161C 3.869 25O32 160CB 4.202 25O32 161C 4.268 25O32 160CA 4.363 25O32 162N 4.395 25O32 161CB 4.698 25C33 67CE1 3.801 25C33 160O 4.307 25C33 67CZ 4.397 25C33 67CD1 4.397 25C33 67OH 4.480 25C34 160O 3.849 25C34 67CE1 4.011 25C34 67OH 4.411 25C34 67CZ 4.629 25C34 160C 4.805 25C34 67CD1 4.850 25C34 160CB 4.898 25C35 67CE1 3.694 25C35 67OH 4.238 25C35 209CD2 4.447 25C35 67CZ 4.449 25C35 67CD1 4.551 25C35 160O 4.567 25C35 160CB 4.790 25C35 209CD1 4.791 25N36 160C 4.470 25N36 160CB 4.515 25N36 160CD1 4.774 25N36 160CG 4.825 25N36 67CE1 4.846 25N36 67OH 4.964 25C37 160O 3.691 25C37 160CB 4.458 25C37 160N 4.495 25C37 160C 4.634 25C37 160CA 4.822 25C37 160CG 4.973 25C37 158O 4.994 25N38 160O 3.211 25N38 160C 4.305 25N38 160CB 4.681 25N38 160N 4.817 25N38 160CA 4.898

TABLE XXIX Active site amino acid residues for Cathepsin K ASN 18 GLN 19 GLY 20 GLN 21 CYS 22 GLY 23 SER 24 CYS 25 TRP 26 ALA 27 PHE 28 SER 29 GLU 59 ASN 60 ASP 61 GLY 64 GLY 65 GLY 66 TYR 67 MET 68 ASN 70 ALA 134 ALA 137 SER 138 GLN 143 ASP 158 ASN 159 LEU 160 ASN 161 HIS 162 ALA 163 SER 183 TRP 184 TRP 188 LEU 209

7 1 329 PRT homo sapiens 1 Met Trp Gly Leu Lys Val Leu Leu Leu Pro Val Val Ser Phe Ala Leu 1 5 10 15 Tyr Pro Glu Glu Ile Leu Asp Thr His Trp Glu Leu Trp Lys Lys Thr 20 25 30 His Arg Lys Gln Tyr Asn Asn Lys Val Asp Glu Ile Ser Arg Arg Leu 35 40 45 Ile Trp Glu Lys Asn Leu Lys Tyr Ile Ser Ile His Asn Leu Glu Ala 50 55 60 Ser Leu Gly Val His Thr Tyr Glu Leu Ala Met Asn His Leu Gly Asp 65 70 75 80 Met Thr Ser Glu Glu Val Val Gln Lys Met Thr Gly Leu Lys Val Pro 85 90 95 Leu Ser His Ser Arg Ser Asn Asp Thr Leu Tyr Ile Pro Glu Trp Glu 100 105 110 Gly Arg Ala Pro Asp Ser Val Asp Tyr Arg Lys Lys Gly Tyr Val Thr 115 120 125 Pro Val Lys Asn Gln Gly Gln Cys Gly Ser Cys Trp Ala Phe Ser Ser 130 135 140 Val Gly Ala Leu Glu Gly Gln Leu Lys Lys Lys Thr Gly Lys Leu Leu 145 150 155 160 Asn Leu Ser Pro Gln Asn Leu Val Asp Cys Val Ser Glu Asn Asp Gly 165 170 175 Cys Gly Gly Gly Tyr Met Thr Asn Ala Phe Gln Tyr Val Gln Lys Asn 180 185 190 Arg Gly Ile Asp Ser Glu Asp Ala Tyr Pro Tyr Val Gly Gln Glu Glu 195 200 205 Ser Cys Met Tyr Asn Pro Thr Gly Lys Ala Ala Lys Cys Arg Gly Tyr 210 215 220 Arg Glu Ile Pro Glu Gly Asn Glu Lys Ala Leu Lys Arg Ala Val Ala 225 230 235 240 Arg Val Gly Pro Val Ser Val Ala Ile Asp Ala Ser Leu Thr Ser Phe 245 250 255 Gln Phe Tyr Ser Lys Gly Val Tyr Tyr Asp Glu Ser Cys Asn Ser Asp 260 265 270 Asn Leu Asn His Ala Val Leu Ala Val Gly Tyr Gly Ile Gln Lys Gly 275 280 285 Asn Lys His Trp Ile Ile Lys Asn Ser Trp Gly Glu Asn Trp Gly Asn 290 295 300 Lys Gly Tyr Ile Leu Met Ala Arg Asn Lys Asn Asn Ala Cys Gly Ile 305 310 315 320 Ala Asn Leu Ala Ser Phe Pro Lys Met 325 2 331 PRT homo sapiens 2 Met Lys Arg Leu Val Cys Val Leu Leu Val Cys Ser Ser Ala Val Ala 1 5 10 15 Gln Leu His Lys Asp Pro Thr Leu Asp His His Trp His Leu Trp Lys 20 25 30 Lys Thr Tyr Gly Lys Gln Tyr Lys Glu Lys Asn Glu Glu Ala Val Arg 35 40 45 Arg Leu Ile Trp Glu Lys Asn Leu Lys Phe Val Met Leu His Asn Leu 50 55 60 Glu His Ser Met Gly Met His Ser Tyr Asp Leu Gly Met Asn His Leu 65 70 75 80 Gly Asp Met Thr Ser Glu Glu Val Met Ser Leu Thr Ser Ser Leu Arg 85 90 95 Val Pro Ser Gln Trp Gln Arg Asn Ile Thr Tyr Lys Ser Asn Pro Asn 100 105 110 Arg Ile Leu Pro Asp Ser Val Asp Trp Arg Glu Lys Gly Cys Val Thr 115 120 125 Glu Val Lys Tyr Gln Gly Ser Cys Gly Ala Cys Trp Ala Phe Ser Ala 130 135 140 Val Gly Ala Leu Glu Ala Gln Leu Lys Leu Lys Thr Gly Lys Leu Val 145 150 155 160 Thr Leu Ser Ala Gln Asn Leu Val Asp Cys Ser Thr Glu Lys Tyr Gly 165 170 175 Asn Lys Gly Cys Asn Gly Gly Phe Met Thr Thr Ala Phe Gln Tyr Ile 180 185 190 Ile Asp Asn Lys Gly Ile Asp Ser Asp Ala Ser Tyr Pro Tyr Lys Ala 195 200 205 Met Asp Gln Lys Cys Gln Tyr Asp Ser Lys Tyr Arg Ala Ala Thr Cys 210 215 220 Ser Lys Tyr Thr Glu Leu Pro Tyr Gly Arg Glu Asp Val Leu Lys Glu 225 230 235 240 Ala Val Ala Asn Lys Gly Pro Val Ser Val Gly Val Asp Ala Arg His 245 250 255 Pro Ser Phe Phe Leu Tyr Arg Ser Gly Val Tyr Tyr Glu Pro Ser Cys 260 265 270 Thr Gln Asn Val Asn His Gly Val Leu Val Val Gly Tyr Gly Asp Leu 275 280 285 Asn Gly Lys Glu Tyr Trp Leu Val Lys Asn Ser Trp Gly His Asn Phe 290 295 300 Gly Glu Glu Gly Tyr Ile Arg Met Ala Arg Asn Lys Gly Asn His Cys 305 310 315 320 Gly Ile Ala Ser Phe Pro Ser Tyr Pro Glu Ile 325 330 3 333 PRT homo sapiens 3 Met Asn Pro Thr Leu Ile Leu Ala Ala Phe Cys Leu Gly Ile Ala Ser 1 5 10 15 Ala Thr Leu Thr Phe Asp His Ser Leu Glu Ala Gln Trp Thr Lys Trp 20 25 30 Lys Ala Met His Asn Arg Leu Tyr Gly Met Asn Glu Glu Gly Trp Arg 35 40 45 Arg Ala Val Trp Glu Lys Asn Met Lys Met Ile Glu Leu His Asn Gln 50 55 60 Glu Tyr Arg Glu Gly Lys His Ser Phe Thr Met Ala Met Asn Ala Phe 65 70 75 80 Gly Asp Met Thr Ser Glu Glu Phe Arg Gln Val Met Asn Gly Phe Gln 85 90 95 Asn Arg Lys Pro Arg Lys Gly Lys Val Phe Gln Glu Pro Leu Phe Tyr 100 105 110 Glu Ala Pro Arg Ser Val Asp Trp Arg Glu Lys Gly Tyr Val Thr Pro 115 120 125 Val Lys Asn Gln Gly Gln Cys Gly Ser Cys Trp Ala Phe Ser Ala Thr 130 135 140 Gly Ala Leu Glu Gly Gln Met Phe Arg Lys Thr Gly Arg Leu Ile Ser 145 150 155 160 Leu Ser Glu Gln Asn Leu Val Asp Cys Ser Gly Pro Gln Gly Asn Glu 165 170 175 Gly Cys Asn Gly Gly Leu Met Asp Tyr Ala Phe Gln Tyr Val Gln Asp 180 185 190 Asn Gly Gly Leu Asp Ser Glu Glu Ser Tyr Pro Tyr Glu Ala Thr Glu 195 200 205 Glu Ser Cys Lys Tyr Asn Pro Lys Tyr Ser Val Ala Asn Asp Thr Gly 210 215 220 Phe Val Asp Ile Pro Lys Gln Glu Lys Ala Leu Met Lys Ala Val Ala 225 230 235 240 Thr Val Gly Pro Ile Ser Val Ala Ile Asp Ala Gly His Glu Ser Phe 245 250 255 Leu Phe Tyr Lys Glu Gly Ile Tyr Phe Glu Pro Asp Cys Ser Ser Glu 260 265 270 Asp Met Asp His Gly Val Leu Val Val Gly Tyr Gly Phe Glu Ser Thr 275 280 285 Glu Ser Asp Asn Asn Lys Tyr Trp Leu Val Lys Asn Ser Trp Gly Glu 290 295 300 Glu Trp Gly Met Gly Gly Tyr Val Lys Met Ala Lys Asp Arg Arg Asn 305 310 315 320 His Cys Gly Ile Ala Ser Ala Ala Ser Tyr Pro Thr Val 325 330 4 212 PRT homo sapiens 4 Ile Pro Glu Tyr Val Asp Trp Arg Gln Lys Gly Ala Val Thr Pro Val 1 5 10 15 Lys Asn Gln Gly Ser Cys Gly Ser Cys Trp Ala Phe Ser Ala Val Val 20 25 30 Thr Ile Glu Gly Ile Ile Lys Ile Arg Thr Gly Asn Leu Asn Gln Tyr 35 40 45 Ser Glu Gln Glu Leu Leu Asp Cys Asp Arg Arg Ser Tyr Gly Cys Asn 50 55 60 Gly Gly Tyr Pro Trp Ser Ala Leu Gln Leu Val Ala Gln Tyr Gly Ile 65 70 75 80 His Tyr Arg Asn Thr Tyr Pro Tyr Glu Gly Val Gln Arg Tyr Cys Arg 85 90 95 Ser Arg Glu Lys Gly Pro Tyr Ala Ala Lys Thr Asp Gly Val Arg Gln 100 105 110 Val Gln Pro Tyr Asn Gln Gly Ala Leu Leu Tyr Ser Ile Ala Asn Gln 115 120 125 Pro Val Ser Val Val Leu Gln Ala Ala Gly Lys Asp Phe Gln Leu Tyr 130 135 140 Arg Gly Gly Ile Phe Val Gly Pro Cys Gly Asn Lys Val Asp His Ala 145 150 155 160 Val Ala Ala Val Gly Tyr Gly Pro Asn Tyr Ile Leu Ile Lys Asn Ser 165 170 175 Trp Gly Thr Gly Trp Gly Glu Asn Gly Tyr Ile Arg Ile Lys Arg Gly 180 185 190 Thr Gly Asn Ser Tyr Gly Val Cys Gly Leu Tyr Thr Ser Ser Phe Tyr 195 200 205 Pro Val Lys Asn 210 5 380 PRT homo sapiens 5 Met Gly Leu Pro Lys Ser Phe Val Ser Met Ser Leu Leu Phe Phe Ser 1 5 10 15 Thr Leu Leu Ile Leu Ser Leu Ala Phe Asn Ala Lys Asn Leu Thr Gln 20 25 30 Arg Thr Asn Asp Glu Val Lys Ala Met Tyr Glu Ser Trp Leu Ile Lys 35 40 45 Tyr Gly Lys Ser Tyr Asn Ser Leu Gly Glu Trp Glu Arg Arg Phe Glu 50 55 60 Ile Phe Lys Glu Thr Leu Arg Phe Ile Asp Glu His Asn Ala Asp Thr 65 70 75 80 Asn Arg Ser Tyr Lys Val Gly Leu Asn Gln Phe Ala Asp Leu Thr Asp 85 90 95 Glu Glu Phe Arg Ser Thr Tyr Leu Gly Phe Thr Ser Gly Ser Asn Lys 100 105 110 Thr Lys Val Ser Asn Arg Tyr Glu Pro Arg Phe Gly Gln Val Leu Pro 115 120 125 Ser Tyr Val Asp Trp Arg Ser Ala Gly Ala Val Val Asp Ile Lys Ser 130 135 140 Gln Gly Glu Cys Gly Gly Cys Trp Ala Phe Ser Ala Ile Ala Thr Val 145 150 155 160 Glu Gly Ile Asn Lys Ile Val Thr Gly Val Leu Ile Ser Leu Ser Glu 165 170 175 Gln Glu Leu Ile Asp Cys Gly Arg Thr Gln Asn Thr Arg Gly Cys Asn 180 185 190 Gly Gly Tyr Ile Thr Asp Gly Phe Gln Phe Ile Ile Asn Asn Gly Gly 195 200 205 Ile Asn Thr Glu Glu Asn Tyr Pro Tyr Thr Ala Gln Asp Gly Glu Cys 210 215 220 Asn Leu Asp Leu Gln Asn Glu Lys Tyr Val Thr Ile Asp Thr Tyr Glu 225 230 235 240 Asn Val Pro Tyr Asn Asn Glu Trp Ala Leu Gln Thr Ala Val Thr Tyr 245 250 255 Gln Pro Val Ser Val Ala Leu Asp Ala Ala Gly Asp Ala Phe Lys His 260 265 270 Tyr Ser Ser Gly Ile Phe Thr Gly Pro Cys Gly Thr Ala Ile Asp His 275 280 285 Ala Val Thr Ile Val Gly Tyr Gly Thr Glu Gly Gly Ile Asp Tyr Trp 290 295 300 Ile Val Lys Asn Ser Trp Asp Thr Thr Trp Gly Glu Glu Gly Tyr Met 305 310 315 320 Arg Ile Leu Arg Asn Val Gly Gly Ala Gly Thr Cys Gly Ile Ala Thr 325 330 335 Met Pro Ser Tyr Pro Val Lys Tyr Asn Asn Gln Asn His Pro Lys Pro 340 345 350 Tyr Ser Ser Leu Ile Asn Pro Pro Ala Phe Ser Met Ser Lys Asp Gly 355 360 365 Pro Val Gly Val Asp Asp Gly Gln Arg Tyr Ser Ala 370 375 380 6 335 PRT homo sapiens 6 Met Trp Ala Thr Leu Pro Leu Leu Cys Ala Gly Ala Trp Leu Leu Gly 1 5 10 15 Val Pro Val Cys Gly Ala Ala Glu Leu Ser Val Asn Ser Leu Glu Lys 20 25 30 Phe His Phe Lys Ser Trp Met Ser Lys His Arg Lys Thr Tyr Ser Thr 35 40 45 Glu Glu Tyr His His Arg Leu Gln Thr Phe Ala Ser Asn Trp Arg Lys 50 55 60 Ile Asn Ala His Asn Asn Gly Asn His Thr Phe Lys Met Ala Leu Asn 65 70 75 80 Gln Phe Ser Asp Met Ser Phe Ala Glu Ile Lys His Lys Tyr Leu Trp 85 90 95 Ser Glu Pro Gln Asn Cys Ser Ala Thr Lys Ser Asn Tyr Leu Arg Gly 100 105 110 Thr Gly Pro Tyr Pro Pro Ser Val Asp Trp Arg Lys Lys Gly Asn Phe 115 120 125 Val Ser Pro Val Lys Asn Gln Gly Ala Cys Gly Ser Cys Trp Thr Phe 130 135 140 Ser Thr Thr Gly Ala Leu Glu Ser Ala Ile Ala Ile Ala Thr Gly Lys 145 150 155 160 Met Leu Ser Leu Ala Glu Gln Gln Leu Val Asp Cys Ala Gln Asp Phe 165 170 175 Asn Asn Tyr Gly Cys Gln Gly Gly Leu Pro Ser Gln Ala Phe Glu Tyr 180 185 190 Ile Leu Tyr Asn Lys Gly Ile Met Gly Glu Asp Thr Tyr Pro Tyr Gln 195 200 205 Gly Lys Asp Gly Tyr Cys Lys Phe Gln Pro Gly Lys Ala Ile Gly Phe 210 215 220 Val Lys Asp Val Ala Asn Ile Thr Ile Tyr Asp Glu Glu Ala Met Val 225 230 235 240 Glu Ala Val Ala Leu Tyr Asn Pro Val Ser Phe Ala Phe Glu Val Thr 245 250 255 Gln Asp Phe Met Met Tyr Arg Thr Gly Ile Tyr Ser Ser Thr Ser Cys 260 265 270 His Lys Thr Pro Asp Lys Val Asn His Ala Val Leu Ala Val Gly Tyr 275 280 285 Gly Glu Lys Asn Gly Ile Pro Tyr Trp Ile Val Lys Asn Ser Trp Gly 290 295 300 Pro Gln Trp Gly Met Asn Gly Tyr Phe Leu Ile Glu Arg Gly Lys Asn 305 310 315 320 Met Cys Gly Leu Ala Ala Cys Ala Ser Tyr Pro Ile Pro Leu Val 325 330 335 7 339 PRT homo sapiens 7 Met Trp Gln Leu Trp Ala Ser Leu Cys Cys Leu Leu Val Leu Ala Asn 1 5 10 15 Ala Arg Ser Arg Pro Ser Phe His Pro Val Ser Asp Glu Leu Val Asn 20 25 30 Tyr Val Asn Lys Arg Asn Thr Thr Trp Gln Ala Gly His Asn Phe Tyr 35 40 45 Asn Val Asp Met Ser Tyr Leu Lys Arg Leu Cys Gly Thr Phe Leu Gly 50 55 60 Gly Pro Lys Pro Pro Gln Arg Val Met Phe Thr Glu Asp Leu Lys Leu 65 70 75 80 Pro Ala Ser Phe Asp Ala Arg Glu Gln Trp Pro Gln Cys Pro Thr Ile 85 90 95 Lys Glu Ile Arg Asp Gln Gly Ser Cys Gly Ser Cys Trp Ala Phe Gly 100 105 110 Ala Val Glu Ala Ile Ser Asp Arg Ile Cys Ile His Thr Asn Ala His 115 120 125 Val Ser Val Glu Val Ser Ala Glu Asp Leu Leu Thr Cys Cys Gly Ser 130 135 140 Met Cys Gly Asp Gly Cys Asn Gly Gly Tyr Pro Ala Glu Ala Trp Asn 145 150 155 160 Phe Trp Thr Arg Lys Gly Leu Val Ser Gly Gly Leu Tyr Glu Ser His 165 170 175 Val Gly Cys Arg Pro Tyr Ser Ile Pro Pro Cys Glu His His Val Asn 180 185 190 Gly Ser Arg Pro Pro Cys Thr Gly Glu Gly Asp Thr Pro Lys Cys Ser 195 200 205 Lys Ile Cys Glu Pro Gly Tyr Ser Pro Thr Tyr Lys Gln Asp Lys His 210 215 220 Tyr Gly Tyr Asn Ser Tyr Ser Val Ser Asn Ser Glu Lys Asp Ile Met 225 230 235 240 Ala Glu Ile Tyr Lys Asn Gly Pro Val Glu Gly Ala Phe Ser Val Tyr 245 250 255 Ser Asp Phe Leu Leu Tyr Lys Ser Gly Val Tyr Gln His Val Thr Gly 260 

What is claimed is:
 1. A method of identifying an inhibitor compound capable of binding to, and inhibiting the proteolytic activity of, cathepsin K, said method comprising: introducing the protein coordinates of Table I into a suitable computer program so as to define an active site conformation of a cathepsin K molecule comprising an active site formed by the residues listed in Table XXIX, said active site defined by the protein coordinates of Table I, wherein said program displays the three- dimensional structure of the active site; creating a three dimensional representation of the active site in said computer program; displaying and superimposing a three dimensional representation of a test compound on the three dimensional representation of the active site; assessing whether said test compound fits spatially into the active site; preparing said test compound that fits spatially into the active site; using said test compound in a biological assay for a protease characterized by said active site; and determining whether said test compound inhibits cathepsin K activity in said assay. 